# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/07f2d2ff-8de7-489a-97e6-07a1398c4a2e/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for P4N6O / Pnnm (58) / materials id 28950](https://mdr.nims.go.jp/datasets/687efa2f-ad71-4bf9-a9cc-648ceda19ce2) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.121148990000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.876127950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.863075120000000 ] # c points: - symbol: N # 1 coordinates: [ 0.175249640000000, 0.378502120000000, 0.298444600000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.675249640000000, 0.121497880000000, 0.201555400000000 ] mass: 14.006700 - symbol: N # 3 coordinates: [ 0.824750360000000, 0.621497880000000, 0.298444600000000 ] mass: 14.006700 - symbol: N # 4 coordinates: [ 0.324750360000000, 0.878502120000000, 0.201555400000000 ] mass: 14.006700 - symbol: N # 5 coordinates: [ 0.824750360000000, 0.621497880000000, 0.701555400000000 ] mass: 14.006700 - symbol: N # 6 coordinates: [ 0.324750360000000, 0.878502120000000, 0.798444600000000 ] mass: 14.006700 - symbol: N # 7 coordinates: [ 0.175249640000000, 0.378502120000000, 0.701555400000000 ] mass: 14.006700 - symbol: N # 8 coordinates: [ 0.675249640000000, 0.121497880000000, 0.798444600000000 ] mass: 14.006700 - symbol: N # 9 coordinates: [ 0.397621140000000, 0.136764500000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 10 coordinates: [ 0.897621140000000, 0.363235500000000, 0.000000000000000 ] mass: 14.006700 - symbol: N # 11 coordinates: [ 0.102378860000000, 0.636764500000000, 0.000000000000000 ] mass: 14.006700 - symbol: N # 12 coordinates: [ 0.602378860000000, 0.863235500000000, 0.500000000000000 ] mass: 14.006700 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: P # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.185755370000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.314244630000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.000000000000000, 0.500000000000000, 0.814244630000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.685755370000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.293929000000000, 0.359726040000000, 0.500000000000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.793929000000000, 0.140273960000000, 0.000000000000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.706071000000000, 0.640273960000000, 0.500000000000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.206071000000000, 0.859726040000000, 0.000000000000000 ] mass: 30.973762 reciprocal_lattice: # without 2pi - [ 0.163368021532180, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.145430685303056, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.145707278809444 ] # c*unit_cell: lattice: - [ 6.121148990000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.876127950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.863075120000000 ] # c points: - symbol: N # 1 coordinates: [ 0.175249640000000, 0.378502120000000, 0.298444600000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.675249640000000, 0.121497880000000, 0.201555400000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 3 coordinates: [ 0.824750360000000, 0.621497880000000, 0.298444600000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 4 coordinates: [ 0.324750360000000, 0.878502120000000, 0.201555400000000 ] mass: 14.006700 reduced_to: 4 - symbol: N # 5 coordinates: [ 0.824750360000000, 0.621497880000000, 0.701555400000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 6 coordinates: [ 0.324750360000000, 0.878502120000000, 0.798444600000000 ] mass: 14.006700 reduced_to: 6 - symbol: N # 7 coordinates: [ 0.175249640000000, 0.378502120000000, 0.701555400000000 ] mass: 14.006700 reduced_to: 7 - symbol: N # 8 coordinates: [ 0.675249640000000, 0.121497880000000, 0.798444600000000 ] mass: 14.006700 reduced_to: 8 - symbol: N # 9 coordinates: [ 0.397621140000000, 0.136764500000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 10 coordinates: [ 0.897621140000000, 0.363235500000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 11 coordinates: [ 0.102378860000000, 0.636764500000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 11 - symbol: N # 12 coordinates: [ 0.602378860000000, 0.863235500000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.185755370000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.314244630000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.000000000000000, 0.500000000000000, 0.814244630000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.685755370000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.293929000000000, 0.359726040000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.793929000000000, 0.140273960000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.706071000000000, 0.640273960000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.206071000000000, 0.859726040000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 22supercell: lattice: - [ 12.242297980000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.876127950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.726150240000001 ] # c points: - symbol: N # 1 coordinates: [ 0.087624820000000, 0.378502120000000, 0.149222300000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.587624820000000, 0.378502120000000, 0.149222300000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.087624820000000, 0.378502120000000, 0.649222300000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.587624820000000, 0.378502120000000, 0.649222300000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 5 coordinates: [ 0.337624820000000, 0.121497880000000, 0.100777700000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 6 coordinates: [ 0.837624820000000, 0.121497880000000, 0.100777700000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 7 coordinates: [ 0.337624820000000, 0.121497880000000, 0.600777700000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 8 coordinates: [ 0.837624820000000, 0.121497880000000, 0.600777700000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 9 coordinates: [ 0.412375180000000, 0.621497880000000, 0.149222300000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 10 coordinates: [ 0.912375180000000, 0.621497880000000, 0.149222300000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 11 coordinates: [ 0.412375180000000, 0.621497880000000, 0.649222300000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 12 coordinates: [ 0.912375180000000, 0.621497880000000, 0.649222300000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 13 coordinates: [ 0.162375180000000, 0.878502120000000, 0.100777700000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 14 coordinates: [ 0.662375180000000, 0.878502120000000, 0.100777700000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 15 coordinates: [ 0.162375180000000, 0.878502120000000, 0.600777700000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 16 coordinates: [ 0.662375180000000, 0.878502120000000, 0.600777700000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 17 coordinates: [ 0.412375180000000, 0.621497880000000, 0.350777700000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 18 coordinates: [ 0.912375180000000, 0.621497880000000, 0.350777700000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 19 coordinates: [ 0.412375180000000, 0.621497880000000, 0.850777700000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 20 coordinates: [ 0.912375180000000, 0.621497880000000, 0.850777700000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 21 coordinates: [ 0.162375180000000, 0.878502120000000, 0.399222300000000 ] mass: 14.006700 reduced_to: 21 - symbol: N # 22 coordinates: [ 0.662375180000000, 0.878502120000000, 0.399222300000000 ] mass: 14.006700 reduced_to: 21 - symbol: N # 23 coordinates: [ 0.162375180000000, 0.878502120000000, 0.899222300000000 ] mass: 14.006700 reduced_to: 21 - symbol: N # 24 coordinates: [ 0.662375180000000, 0.878502120000000, 0.899222300000000 ] mass: 14.006700 reduced_to: 21 - symbol: N # 25 coordinates: [ 0.087624820000000, 0.378502120000000, 0.350777700000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 26 coordinates: [ 0.587624820000000, 0.378502120000000, 0.350777700000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 27 coordinates: [ 0.087624820000000, 0.378502120000000, 0.850777700000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 28 coordinates: [ 0.587624820000000, 0.378502120000000, 0.850777700000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 29 coordinates: [ 0.337624820000000, 0.121497880000000, 0.399222300000000 ] mass: 14.006700 reduced_to: 29 - symbol: N # 30 coordinates: [ 0.837624820000000, 0.121497880000000, 0.399222300000000 ] mass: 14.006700 reduced_to: 29 - symbol: N # 31 coordinates: [ 0.337624820000000, 0.121497880000000, 0.899222300000000 ] mass: 14.006700 reduced_to: 29 - symbol: N # 32 coordinates: [ 0.837624820000000, 0.121497880000000, 0.899222300000000 ] mass: 14.006700 reduced_to: 29 - symbol: N # 33 coordinates: [ 0.198810570000000, 0.136764500000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 34 coordinates: [ 0.698810570000000, 0.136764500000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 35 coordinates: [ 0.198810570000000, 0.136764500000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 36 coordinates: [ 0.698810570000000, 0.136764500000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 37 coordinates: [ 0.448810570000000, 0.363235500000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 38 coordinates: [ 0.948810570000000, 0.363235500000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 39 coordinates: [ 0.448810570000000, 0.363235500000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 40 coordinates: [ 0.948810570000000, 0.363235500000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 41 coordinates: [ 0.051189430000000, 0.636764500000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 42 coordinates: [ 0.551189430000000, 0.636764500000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 43 coordinates: [ 0.051189430000000, 0.636764500000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 44 coordinates: [ 0.551189430000000, 0.636764500000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 45 coordinates: [ 0.301189430000000, 0.863235500000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 45 - symbol: N # 46 coordinates: [ 0.801189430000000, 0.863235500000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 45 - symbol: N # 47 coordinates: [ 0.301189430000000, 0.863235500000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 45 - symbol: N # 48 coordinates: [ 0.801189430000000, 0.863235500000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: P # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.092877685000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.500000000000000, 0.500000000000000, 0.092877685000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 59 coordinates: [ 0.000000000000000, 0.500000000000000, 0.592877685000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.592877685000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 61 coordinates: [ 0.250000000000000, 0.000000000000000, 0.157122315000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.750000000000000, 0.000000000000000, 0.157122315000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 63 coordinates: [ 0.250000000000000, 0.000000000000000, 0.657122315000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 64 coordinates: [ 0.750000000000000, 0.000000000000000, 0.657122315000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 65 coordinates: [ 0.000000000000000, 0.500000000000000, 0.407122315000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.500000000000000, 0.500000000000000, 0.407122315000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.907122315000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.907122315000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 69 coordinates: [ 0.250000000000000, 0.000000000000000, 0.342877685000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.750000000000000, 0.000000000000000, 0.342877685000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 71 coordinates: [ 0.250000000000000, 0.000000000000000, 0.842877685000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 72 coordinates: [ 0.750000000000000, 0.000000000000000, 0.842877685000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 73 coordinates: [ 0.146964500000000, 0.359726040000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.646964500000000, 0.359726040000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 75 coordinates: [ 0.146964500000000, 0.359726040000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 76 coordinates: [ 0.646964500000000, 0.359726040000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 77 coordinates: [ 0.396964500000000, 0.140273960000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 78 coordinates: [ 0.896964500000000, 0.140273960000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 79 coordinates: [ 0.396964500000000, 0.140273960000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 80 coordinates: [ 0.896964500000000, 0.140273960000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 81 coordinates: [ 0.353035500000000, 0.640273960000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 82 coordinates: [ 0.853035500000000, 0.640273960000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 83 coordinates: [ 0.353035500000000, 0.640273960000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 84 coordinates: [ 0.853035500000000, 0.640273960000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 85 coordinates: [ 0.103035500000000, 0.859726040000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 86 coordinates: [ 0.603035500000000, 0.859726040000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 87 coordinates: [ 0.103035500000000, 0.859726040000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 88 coordinates: [ 0.603035500000000, 0.859726040000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 85born_effective_charge:- # 1 (N) - [ -2.419769520000000, 0.805571420000000, -1.257700030000000 ] - [ 0.784467420000000, -1.594012530000000, 0.630933330000000 ] - [ -1.184650550000000, 0.575866020000000, -3.072643060000000 ]- # 2 (N) - [ -2.419769520000000, -0.805571420000000, 1.257700030000000 ] - [ -0.784467420000000, -1.594012530000000, 0.630933330000000 ] - [ 1.184650550000000, 0.575866020000000, -3.072643060000000 ]- # 3 (N) - [ -2.419769520000000, 0.805571420000000, 1.257700030000000 ] - [ 0.784467420000000, -1.594012530000000, -0.630933330000000 ] - [ 1.184650550000000, -0.575866020000000, -3.072643060000000 ]- # 4 (N) - [ -2.419769520000000, -0.805571420000000, -1.257700030000000 ] - [ -0.784467420000000, -1.594012530000000, -0.630933330000000 ] - [ -1.184650550000000, -0.575866020000000, -3.072643060000000 ]- # 5 (N) - [ -2.419769520000000, 0.805571420000000, -1.257700030000000 ] - [ 0.784467420000000, -1.594012530000000, 0.630933330000000 ] - [ -1.184650550000000, 0.575866020000000, -3.072643060000000 ]- # 6 (N) - [ -2.419769520000000, -0.805571420000000, 1.257700030000000 ] - [ -0.784467420000000, -1.594012530000000, 0.630933330000000 ] - [ 1.184650550000000, 0.575866020000000, -3.072643060000000 ]- # 7 (N) - [ -2.419769520000000, 0.805571420000000, 1.257700030000000 ] - [ 0.784467420000000, -1.594012530000000, -0.630933330000000 ] - [ 1.184650550000000, -0.575866020000000, -3.072643060000000 ]- # 8 (N) - [ -2.419769520000000, -0.805571420000000, -1.257700030000000 ] - [ -0.784467420000000, -1.594012530000000, -0.630933330000000 ] - [ -1.184650550000000, -0.575866020000000, -3.072643060000000 ]- # 9 (N) - [ -1.629029740000000, 0.756290060000000, 0.000000000000000 ] - [ 1.038233380000000, -2.882773720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.738847960000000 ]- # 10 (N) - [ -1.629029740000000, -0.756290060000000, 0.000000000000000 ] - [ -1.038233380000000, -2.882773720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.738847960000000 ]- # 11 (N) - [ -1.629029740000000, -0.756290060000000, 0.000000000000000 ] - [ -1.038233380000000, -2.882773720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.738847960000000 ]- # 12 (N) - [ -1.629029740000000, 0.756290060000000, 0.000000000000000 ] - [ 1.038233380000000, -2.882773720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.738847960000000 ]- # 13 (O) - [ -3.689015010000000, -1.829607780000000, 0.000000000000000 ] - [ -1.515752520000000, -2.295175410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.097621590000000 ]- # 14 (O) - [ -3.689015010000000, 1.829607780000000, 0.000000000000000 ] - [ 1.515752520000000, -2.295175410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.097621590000000 ]- # 15 (P) - [ 3.514932490000000, -0.799245540000000, 0.000000000000000 ] - [ -0.347146410000000, 3.183334810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.101351450000000 ]- # 16 (P) - [ 3.514932490000000, 0.799245540000000, 0.000000000000000 ] - [ 0.347146410000000, 3.183334810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.101351450000000 ]- # 17 (P) - [ 3.514932490000000, -0.799245540000000, 0.000000000000000 ] - [ -0.347146410000000, 3.183334810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.101351450000000 ]- # 18 (P) - [ 3.514932490000000, 0.799245540000000, 0.000000000000000 ] - [ 0.347146410000000, 3.183334810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.101351450000000 ]- # 19 (P) - [ 4.798143810000000, 0.038192310000000, 0.000000000000000 ] - [ -0.462785590000000, 4.035051670000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.331593440000000 ]- # 20 (P) - [ 4.798143810000000, -0.038192310000000, 0.000000000000000 ] - [ 0.462785590000000, 4.035051670000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.331593440000000 ]- # 21 (P) - [ 4.798143810000000, 0.038192310000000, 0.000000000000000 ] - [ -0.462785590000000, 4.035051670000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.331593440000000 ]- # 22 (P) - [ 4.798143810000000, -0.038192310000000, 0.000000000000000 ] - [ 0.462785590000000, 4.035051670000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.331593440000000 ]dielectric_constant: - [ 3.500627090000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.404895840000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.922034620000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.3286873900000000, 0.1561892900000000, -0.3013951300000000 ] - [ 0.0065641200000000, -0.0018437700000000, 0.0010969000000000 ] - [ 0.0021667300000000, -0.0003533200000000, 0.0013648100000000 ] - [ 0.0038603200000000, -0.0009146900000000, 0.0013787500000000 ] - [ 0.0063039600000000, -0.0011626300000000, -0.0051520600000000 ] - [ 0.0062910300000000, 0.0030767900000000, -0.0005497500000000 ] - [ 0.0019975600000000, 0.0000933200000000, 0.0022431300000000 ] - [ 0.0020071000000000, 0.0002798000000000, 0.0006788700000000 ] - [ 0.0042722600000000, -0.0008095400000000, -0.0049103600000000 ] - [ 0.0225173200000000, -0.0226632600000000, -0.0070860100000000 ] - [ -0.0027188200000000, 0.0004092400000000, 0.0007171500000000 ] - [ -0.0034642500000000, 0.0010215900000000, 0.0023502400000000 ] - [ -0.0083338600000000, -0.0032209500000000, -0.0073769800000000 ] - [ 0.0015307200000000, 0.0004396700000000, 0.0018449200000000 ] - [ -0.0026903200000000, -0.0002726100000000, 0.0019579600000000 ] - [ -0.0012214500000000, 0.0000148500000000, 0.0011477300000000 ] - [ 0.0064552700000000, -0.0003590000000000, 0.0059261100000000 ] - [ -0.0075454400000000, 0.0033083800000000, -0.0083680900000000 ] - [ -0.0023448600000000, 0.0003755800000000, -0.0001285600000000 ] - [ -0.0008324500000000, -0.0016764300000000, 0.0053651700000000 ] - [ -0.0058011600000000, -0.0023764900000000, 0.0055407300000000 ] - [ -0.0002049600000000, 0.0002827300000000, -0.0023755500000000 ] - [ -0.0057902000000000, -0.0020932600000000, 0.0007423400000000 ] - [ -0.0002065000000000, 0.0003120300000000, -0.0004513600000000 ] - [ -0.0099623000000000, 0.0039251400000000, 0.0062905400000000 ] - [ 0.0068109100000000, -0.0020606200000000, -0.0021885000000000 ] - [ -0.0012173100000000, 0.0009604900000000, 0.0047152400000000 ] - [ 0.0038013800000000, -0.0008134600000000, -0.0005461900000000 ] - [ 0.0056184800000000, 0.0011415700000000, 0.0050401600000000 ] - [ 0.0014698300000000, -0.0002091900000000, -0.0021871200000000 ] - [ 0.0014577100000000, -0.0004573600000000, -0.0024146600000000 ] - [ 0.0056148200000000, 0.0033784200000000, 0.0037733700000000 ] - [ 0.0063354200000000, -0.0123107400000000, 0.0208089600000000 ] - [ -0.0022744100000000, 0.0043017900000000, -0.0012266300000000 ] - [ -0.0058400500000000, 0.0067845100000000, 0.0010650100000000 ] - [ -0.0038012500000000, 0.0054703600000000, 0.0010470000000000 ] - [ -0.0030977300000000, -0.0055910900000000, -0.0017794800000000 ] - [ 0.0027816700000000, -0.0097074300000000, 0.0184156100000000 ] - [ -0.0035589900000000, -0.0059051100000000, 0.0016623200000000 ] - [ -0.0064971200000000, -0.0054605100000000, 0.0009215600000000 ] - [ -0.0011480800000000, -0.0023174100000000, 0.0043993200000000 ] - [ 0.0068216100000000, 0.0069337400000000, -0.0009306800000000 ] - [ 0.0026133300000000, 0.0056333600000000, 0.0015594700000000 ] - [ 0.0062908500000000, 0.0062686900000000, 0.0014427800000000 ] - [ 0.0078179400000000, -0.0077032100000000, -0.0008034900000000 ] - [ 0.0084170900000000, -0.0097237700000000, -0.0063080200000000 ] - [ 0.0043776600000000, -0.0061726200000000, 0.0005604100000000 ] - [ 0.0056289300000000, -0.0061379800000000, 0.0017932800000000 ] - [ 0.0374453000000000, 0.0211655000000000, 0.0223955300000000 ] - [ 0.0073625200000000, 0.0038879300000000, -0.0026840800000000 ] - [ -0.0017931700000000, -0.0008646700000000, 0.0005549400000000 ] - [ 0.0018364800000000, 0.0008845600000000, 0.0006751100000000 ] - [ -0.0043753900000000, 0.0025266800000000, -0.0001801000000000 ] - [ 0.0039722300000000, -0.0019127800000000, -0.0006585000000000 ] - [ -0.0026716200000000, 0.0012080900000000, 0.0004857900000000 ] - [ 0.0027759100000000, -0.0012945500000000, 0.0005287200000000 ] - [ 0.1794761100000000, -0.1085377000000000, 0.1016404700000000 ] - [ -0.0071560900000000, 0.0030344700000000, 0.0048393400000000 ] - [ 0.0011165600000000, 0.0001073100000000, -0.0010464300000000 ] - [ -0.0009583300000000, -0.0000598200000000, -0.0007244900000000 ] - [ -0.0010080600000000, 0.0083872700000000, 0.0097566100000000 ] - [ -0.0067550100000000, 0.0007125300000000, 0.0001403100000000 ] - [ 0.0006308500000000, -0.0001881400000000, -0.0040442700000000 ] - [ -0.0007607700000000, 0.0002305100000000, -0.0036594200000000 ] - [ 0.0111790400000000, -0.0068000000000000, -0.0021240100000000 ] - [ -0.0067261300000000, 0.0045851500000000, -0.0049407000000000 ] - [ 0.0060714900000000, 0.0047906300000000, -0.0125130700000000 ] - [ -0.0016166100000000, -0.0004802600000000, 0.0000865300000000 ] - [ -0.0021125900000000, 0.0040608600000000, -0.0113179300000000 ] - [ -0.0019935800000000, 0.0015829200000000, 0.0069808800000000 ] - [ 0.0026570100000000, 0.0010672500000000, 0.0015476200000000 ] - [ -0.0034524700000000, -0.0011665600000000, -0.0011578200000000 ] - [ 0.0992795700000000, -0.0176774200000000, 0.1208153400000000 ] - [ -0.0075726600000000, -0.0044440800000000, 0.0009799800000000 ] - [ 0.0041593500000000, -0.0040132500000000, -0.0036524500000000 ] - [ -0.0015004100000000, -0.0029333000000000, -0.0008070800000000 ] - [ -0.0034390900000000, 0.0038109700000000, 0.0065215700000000 ] - [ -0.0018534000000000, -0.0077349300000000, -0.0030290300000000 ] - [ -0.0017034200000000, 0.0032776000000000, -0.0043788200000000 ] - [ 0.0041111100000000, 0.0027750400000000, 0.0007347700000000 ] - [ -0.0231394900000000, -0.0106491500000000, 0.0030710200000000 ] - [ -0.0134294400000000, 0.0038378300000000, 0.0304425900000000 ] - [ -0.0000229500000000, 0.0039313000000000, -0.0004609700000000 ] - [ -0.0033903600000000, 0.0027156100000000, -0.0048282800000000 ] - [ 0.0113122400000000, 0.0018128800000000, 0.0061755200000000 ] - [ -0.0069431400000000, -0.0034771100000000, -0.0014156700000000 ] - [ 0.0032409800000000, -0.0028458600000000, -0.0047876300000000 ] - [ -0.0048376700000000, -0.0035982100000000, 0.0003668800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.3385658200000000, -0.1629148500000000, 0.3027442900000000 ] - [ -0.0015745400000000, 0.0010290800000000, -0.0013231700000000 ] - [ 0.0028216000000000, -0.0004590600000000, -0.0016141400000000 ] - [ 0.0011327800000000, 0.0001000400000000, -0.0016087300000000 ] - [ -0.0013080800000000, 0.0019693500000000, 0.0053836400000000 ] - [ -0.0013210900000000, -0.0022840800000000, 0.0007804000000000 ] - [ 0.0029925300000000, 0.0007215200000000, -0.0020184900000000 ] - [ 0.0030018300000000, 0.0005446200000000, -0.0004658100000000 ] - [ -0.0092761100000000, 0.0016294000000000, 0.0046886700000000 ] - [ -0.0278754800000000, 0.0239934200000000, 0.0068640400000000 ] - [ -0.0022777600000000, 0.0004079100000000, -0.0009456200000000 ] - [ -0.0015162600000000, -0.0002140300000000, -0.0026033500000000 ] - [ 0.0033416000000000, 0.0024061600000000, 0.0076181800000000 ] - [ -0.0065424200000000, -0.0012598900000000, -0.0016242900000000 ] - [ -0.0023162500000000, -0.0005510000000000, -0.0017462800000000 ] - [ -0.0037722900000000, -0.0008303400000000, -0.0009231600000000 ] - [ -0.0114401600000000, 0.0011859400000000, -0.0056856300000000 ] - [ 0.0026199000000000, -0.0025339100000000, 0.0086622900000000 ] - [ -0.0026548100000000, 0.0004422600000000, 0.0003493200000000 ] - [ -0.0041620700000000, 0.0025154400000000, -0.0051650700000000 ] - [ 0.0007928100000000, 0.0015507500000000, -0.0057614900000000 ] - [ -0.0047926300000000, -0.0010995500000000, 0.0021597300000000 ] - [ 0.0008033800000000, 0.0012819100000000, -0.0009730600000000 ] - [ -0.0047941400000000, -0.0011302400000000, 0.0002206900000000 ] - [ 0.0149646100000000, -0.0047967500000000, -0.0063431800000000 ] - [ -0.0018246100000000, 0.0012455000000000, 0.0024240100000000 ] - [ 0.0062384200000000, -0.0017810400000000, -0.0045181700000000 ] - [ 0.0011933600000000, -0.0000022000000000, 0.0007679500000000 ] - [ -0.0006308600000000, -0.0003236300000000, -0.0052662600000000 ] - [ 0.0035466800000000, 0.0010376300000000, 0.0019796200000000 ] - [ 0.0035348200000000, 0.0012735700000000, 0.0021856400000000 ] - [ -0.0006347600000000, -0.0025808500000000, -0.0040224000000000 ] - [ -0.0158215400000000, 0.0240672000000000, -0.0206246100000000 ] - [ -0.0072436900000000, 0.0076188900000000, 0.0012369900000000 ] - [ -0.0036724200000000, 0.0051303700000000, -0.0010737300000000 ] - [ -0.0057116300000000, 0.0064472600000000, -0.0010556700000000 ] - [ -0.0064180100000000, -0.0063269500000000, 0.0017786000000000 ] - [ -0.0124785600000000, -0.0021753700000000, -0.0188141600000000 ] - [ -0.0059579300000000, -0.0060129300000000, -0.0016619800000000 ] - [ -0.0029834900000000, -0.0064567700000000, -0.0009500700000000 ] - [ 0.0107501400000000, 0.0142556200000000, -0.0043572600000000 ] - [ 0.0026864200000000, 0.0049793100000000, 0.0009277800000000 ] - [ 0.0069125000000000, 0.0062518000000000, -0.0015944800000000 ] - [ 0.0032206500000000, 0.0056473600000000, -0.0014394900000000 ] - [ 0.0016912800000000, -0.0042038400000000, 0.0008023000000000 ] - [ 0.0010833400000000, -0.0021778900000000, 0.0063533400000000 ] - [ 0.0051332300000000, -0.0057426100000000, -0.0005660400000000 ] - [ 0.0038834900000000, -0.0057796700000000, -0.0018082300000000 ] - [ -0.0370666800000000, -0.0209352600000000, -0.0220035800000000 ] - [ -0.0073845500000000, -0.0038982000000000, 0.0027003800000000 ] - [ 0.0017944800000000, 0.0008649300000000, -0.0005600100000000 ] - [ -0.0018338200000000, -0.0008832000000000, -0.0006794300000000 ] - [ 0.0044047600000000, -0.0025501700000000, 0.0001808600000000 ] - [ -0.0039812700000000, 0.0019177600000000, 0.0006570200000000 ] - [ 0.0026812500000000, -0.0012118100000000, -0.0004879600000000 ] - [ -0.0027814900000000, 0.0012973400000000, -0.0005286600000000 ] - [ -0.1847421300000000, 0.1144874700000000, -0.1043045500000000 ] - [ 0.0071678900000000, -0.0030371700000000, -0.0016446700000000 ] - [ -0.0011208800000000, -0.0001077900000000, 0.0042912800000000 ] - [ 0.0009624000000000, 0.0000605300000000, 0.0039245900000000 ] - [ 0.0010273000000000, -0.0083883200000000, -0.0129641700000000 ] - [ 0.0067883100000000, -0.0007167000000000, -0.0033603400000000 ] - [ -0.0006202500000000, 0.0001933800000000, 0.0008634300000000 ] - [ 0.0007520800000000, -0.0002354300000000, 0.0004791400000000 ] - [ -0.0113895000000000, 0.0069521000000000, -0.0009773400000000 ] - [ 0.0067408100000000, -0.0045905100000000, 0.0017401000000000 ] - [ -0.0061309300000000, -0.0048742300000000, 0.0093785200000000 ] - [ 0.0016225600000000, 0.0004810000000000, -0.0032776100000000 ] - [ 0.0021614600000000, -0.0040950400000000, 0.0145292800000000 ] - [ 0.0019802800000000, -0.0015899700000000, -0.0038160000000000 ] - [ -0.0026574700000000, -0.0010669000000000, 0.0016563000000000 ] - [ 0.0034630600000000, 0.0011721100000000, 0.0043766100000000 ] - [ -0.0965347600000000, 0.0107562300000000, -0.1165203900000000 ] - [ 0.0098748300000000, -0.0018098100000000, -0.0009887600000000 ] - [ -0.0018764900000000, -0.0022411400000000, 0.0036818100000000 ] - [ 0.0037855600000000, -0.0033269200000000, 0.0008152800000000 ] - [ 0.0057332800000000, 0.0024457300000000, -0.0065219100000000 ] - [ 0.0041499000000000, 0.0140765200000000, 0.0030475100000000 ] - [ 0.0039995700000000, 0.0029813000000000, 0.0043846400000000 ] - [ -0.0018643600000000, 0.0034606500000000, -0.0007312200000000 ] - [ 0.0208742300000000, 0.0169117500000000, -0.0030659500000000 ] - [ 0.0111631900000000, 0.0024350500000000, -0.0306388300000000 ] - [ -0.0022552400000000, 0.0023240000000000, 0.0004670000000000 ] - [ 0.0011030400000000, 0.0035471800000000, 0.0048599300000000 ] - [ -0.0136248000000000, -0.0080682200000000, -0.0061930300000000 ] - [ 0.0046764300000000, -0.0027804800000000, 0.0014263500000000 ] - [ -0.0055108200000000, -0.0033914700000000, 0.0048009600000000 ] - [ 0.0025591900000000, -0.0026611700000000, -0.0003700600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1644748600000000, -0.1552406300000000, 0.1483186500000000 ] - [ 0.0010563200000000, -0.0002110400000000, -0.0007409300000000 ] - [ 0.0025472600000000, -0.0003309800000000, -0.0010074700000000 ] - [ 0.0019881000000000, -0.0003213200000000, -0.0005782200000000 ] - [ -0.0001767000000000, 0.0010863300000000, 0.0035920100000000 ] - [ 0.0040555100000000, 0.0010826500000000, 0.0007123500000000 ] - [ 0.0026304500000000, 0.0004435000000000, -0.0011280800000000 ] - [ 0.0028156600000000, 0.0004453600000000, -0.0002491900000000 ] - [ -0.0037282600000000, 0.0013849300000000, 0.0008765600000000 ] - [ -0.0260613300000000, 0.0082948600000000, 0.0056562500000000 ] - [ -0.0024958100000000, 0.0004454500000000, -0.0003801000000000 ] - [ -0.0018751700000000, 0.0002766000000000, -0.0014735500000000 ] - [ 0.0003407700000000, 0.0063619700000000, 0.0044793300000000 ] - [ -0.0033518100000000, 0.0001711300000000, -0.0006514000000000 ] - [ -0.0026402500000000, -0.0006201900000000, -0.0011109200000000 ] - [ -0.0029212200000000, -0.0004345200000000, -0.0001767500000000 ] - [ -0.0032840800000000, 0.0014918400000000, -0.0004202100000000 ] - [ 0.0004482500000000, -0.0016843500000000, 0.0055689500000000 ] - [ -0.0025309200000000, 0.0004392700000000, 0.0000920700000000 ] - [ -0.0046055200000000, 0.0004718600000000, -0.0030738800000000 ] - [ -0.0008094500000000, 0.0014471900000000, -0.0035551500000000 ] - [ -0.0032209500000000, -0.0004481400000000, 0.0008053800000000 ] - [ -0.0005212600000000, 0.0014564800000000, -0.0009894600000000 ] - [ -0.0031908400000000, -0.0004481800000000, -0.0000138500000000 ] - [ 0.0068731600000000, -0.0109417300000000, -0.0080255400000000 ] - [ 0.0008364700000000, -0.0002171700000000, 0.0011364300000000 ] - [ 0.0038736000000000, -0.0018313800000000, -0.0022101800000000 ] - [ 0.0020915700000000, -0.0003463900000000, 0.0003025300000000 ] - [ -0.0004893400000000, -0.0003855400000000, -0.0043679300000000 ] - [ 0.0033689400000000, 0.0008793900000000, 0.0006593900000000 ] - [ 0.0031246300000000, 0.0008778300000000, 0.0011502600000000 ] - [ 0.0017573500000000, -0.0003880900000000, -0.0006279800000000 ] - [ -0.0243371100000000, 0.0235575900000000, -0.0219873800000000 ] - [ -0.0054047800000000, 0.0064982000000000, 0.0000858400000000 ] - [ -0.0041809100000000, 0.0055960600000000, -0.0007577900000000 ] - [ -0.0049844600000000, 0.0060924800000000, -0.0002660600000000 ] - [ -0.0054442500000000, -0.0064379800000000, 0.0005538600000000 ] - [ -0.0060500300000000, -0.0126191800000000, 0.0001240000000000 ] - [ -0.0054256300000000, -0.0064359700000000, -0.0004061100000000 ] - [ -0.0041071400000000, -0.0061420100000000, -0.0000641300000000 ] - [ -0.0001948800000000, 0.0121149400000000, -0.0134800100000000 ] - [ 0.0041804700000000, 0.0057047300000000, 0.0000572900000000 ] - [ 0.0062816100000000, 0.0054492000000000, -0.0016605700000000 ] - [ 0.0043572500000000, 0.0058219700000000, 0.0000110500000000 ] - [ 0.0018492900000000, -0.0002821500000000, 0.0006474000000000 ] - [ 0.0030942800000000, -0.0030785600000000, 0.0028165100000000 ] - [ 0.0048967400000000, -0.0057930000000000, -0.0003823500000000 ] - [ 0.0044629100000000, -0.0057189800000000, -0.0005957000000000 ] - [ 0.0065036400000000, -0.0037140400000000, 0.0043440100000000 ] - [ -0.0045779200000000, -0.0028922300000000, 0.0022882700000000 ] - [ 0.0006220600000000, 0.0002932600000000, -0.0002772300000000 ] - [ -0.0010360200000000, -0.0004999700000000, -0.0004145400000000 ] - [ 0.0006143700000000, 0.0023185700000000, 0.0014500100000000 ] - [ -0.0018151400000000, 0.0008690800000000, 0.0004212700000000 ] - [ 0.0013637200000000, -0.0007443200000000, -0.0003032600000000 ] - [ -0.0016481800000000, 0.0008058700000000, -0.0003318700000000 ] - [ -0.1100826300000000, 0.1129377900000000, -0.0754200300000000 ] - [ 0.0018237800000000, -0.0003166100000000, 0.0014507400000000 ] - [ -0.0008017500000000, -0.0004994500000000, 0.0032311400000000 ] - [ 0.0005111800000000, 0.0001547500000000, 0.0022402300000000 ] - [ 0.0049180800000000, -0.0101323900000000, -0.0107644500000000 ] - [ 0.0004448400000000, -0.0026590700000000, -0.0000045300000000 ] - [ -0.0001518200000000, 0.0001429000000000, -0.0000750800000000 ] - [ 0.0001451200000000, -0.0001699100000000, -0.0008364800000000 ] - [ -0.0074888400000000, 0.0047674000000000, -0.0011160500000000 ] - [ 0.0015659800000000, -0.0003640100000000, -0.0018911800000000 ] - [ 0.0026811700000000, 0.0064448500000000, 0.0044616900000000 ] - [ 0.0005105900000000, 0.0002615000000000, -0.0020523800000000 ] - [ 0.0025350600000000, -0.0065987900000000, 0.0123830600000000 ] - [ 0.0003580400000000, -0.0011554000000000, -0.0009058800000000 ] - [ -0.0015036000000000, -0.0007973900000000, 0.0019094700000000 ] - [ 0.0007571400000000, -0.0000522800000000, 0.0021081900000000 ] - [ -0.0138735500000000, 0.0337746600000000, -0.0284335600000000 ] - [ 0.0049545100000000, -0.0012423500000000, -0.0000235700000000 ] - [ -0.0002239700000000, -0.0028190100000000, 0.0020150700000000 ] - [ 0.0020887400000000, -0.0029124400000000, 0.0002158100000000 ] - [ 0.0035939200000000, 0.0034839400000000, -0.0036344100000000 ] - [ 0.0000096900000000, 0.0058220400000000, -0.0025406200000000 ] - [ 0.0031639700000000, 0.0037002600000000, 0.0025035000000000 ] - [ -0.0002925400000000, 0.0035920800000000, 0.0000707100000000 ] - [ -0.0007238500000000, -0.0018492000000000, 0.0000990600000000 ] - [ 0.0065096600000000, 0.0019883700000000, -0.0208953600000000 ] - [ -0.0014823300000000, 0.0027268400000000, 0.0002979900000000 ] - [ -0.0002056500000000, 0.0026811700000000, 0.0024581500000000 ] - [ -0.0071027800000000, -0.0150279300000000, -0.0041053400000000 ] - [ 0.0008348000000000, -0.0035129900000000, 0.0004320100000000 ] - [ -0.0031382700000000, -0.0028224700000000, 0.0026845400000000 ] - [ 0.0002654300000000, -0.0035174300000000, -0.0003043500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1545806800000000, 0.1523401400000000, -0.1442340900000000 ] - [ 0.0039291000000000, -0.0006004000000000, 0.0005152800000000 ] - [ 0.0024412200000000, -0.0004804300000000, 0.0007612800000000 ] - [ 0.0030025100000000, -0.0004918700000000, 0.0003462200000000 ] - [ 0.0051834900000000, -0.0002640500000000, -0.0033505500000000 ] - [ 0.0009234300000000, -0.0002676300000000, -0.0004790000000000 ] - [ 0.0023654600000000, 0.0003739900000000, 0.0013429600000000 ] - [ 0.0021873700000000, 0.0003758300000000, 0.0004657100000000 ] - [ -0.0012895400000000, -0.0005670300000000, -0.0010792400000000 ] - [ 0.0205942600000000, -0.0073644800000000, -0.0058154000000000 ] - [ -0.0024966500000000, 0.0003696600000000, 0.0001475300000000 ] - [ -0.0031103900000000, 0.0005342900000000, 0.0012271800000000 ] - [ -0.0052862000000000, -0.0071509500000000, -0.0042274900000000 ] - [ -0.0016515100000000, -0.0009864400000000, 0.0008736700000000 ] - [ -0.0023615500000000, -0.0001995900000000, 0.0013226900000000 ] - [ -0.0020757100000000, -0.0003813800000000, 0.0003983600000000 ] - [ -0.0017394600000000, -0.0006751100000000, 0.0006321200000000 ] - [ -0.0053938400000000, 0.0024653600000000, -0.0052880100000000 ] - [ -0.0024638500000000, 0.0003766200000000, 0.0001307100000000 ] - [ -0.0004134100000000, 0.0003378400000000, 0.0032719800000000 ] - [ -0.0041843800000000, -0.0022640800000000, 0.0033254500000000 ] - [ -0.0017782000000000, -0.0003686100000000, -0.0010237900000000 ] - [ -0.0044482600000000, -0.0022547800000000, 0.0007400500000000 ] - [ -0.0018080600000000, -0.0003686200000000, -0.0002135100000000 ] - [ -0.0018493900000000, 0.0101142100000000, 0.0081374800000000 ] - [ 0.0041422500000000, -0.0005928700000000, -0.0009001000000000 ] - [ 0.0011316000000000, 0.0010031800000000, 0.0024085800000000 ] - [ 0.0029026200000000, -0.0004682400000000, -0.0000791800000000 ] - [ 0.0054694700000000, 0.0011999400000000, 0.0041255200000000 ] - [ 0.0016378700000000, -0.0000554200000000, -0.0008718100000000 ] - [ 0.0018773800000000, -0.0000570900000000, -0.0013744900000000 ] - [ 0.0032222200000000, 0.0011971400000000, 0.0003882900000000 ] - [ 0.0149880200000000, -0.0117441400000000, 0.0220718000000000 ] - [ -0.0041136800000000, 0.0054219400000000, -0.0000793400000000 ] - [ -0.0053279700000000, 0.0063195000000000, 0.0007437300000000 ] - [ -0.0045290800000000, 0.0058244700000000, 0.0002593800000000 ] - [ -0.0040688600000000, -0.0054746200000000, -0.0005499800000000 ] - [ -0.0034861300000000, 0.0005933000000000, -0.0001279300000000 ] - [ -0.0040915200000000, -0.0054804700000000, 0.0004008300000000 ] - [ -0.0053805800000000, -0.0057756800000000, 0.0000406400000000 ] - [ 0.0095982100000000, -0.0001033000000000, 0.0131488800000000 ] - [ 0.0053272600000000, 0.0062097000000000, -0.0000541700000000 ] - [ 0.0032403000000000, 0.0064528100000000, 0.0016397900000000 ] - [ 0.0051509200000000, 0.0060944400000000, -0.0000163100000000 ] - [ 0.0076554500000000, -0.0116204300000000, -0.0006359300000000 ] - [ 0.0064101600000000, -0.0088210700000000, -0.0027895000000000 ] - [ 0.0046181300000000, -0.0061223300000000, 0.0003724400000000 ] - [ 0.0050488800000000, -0.0061956900000000, 0.0005857900000000 ] - [ -0.0065506500000000, 0.0036498600000000, -0.0043379600000000 ] - [ 0.0045438200000000, 0.0028695100000000, -0.0022624200000000 ] - [ -0.0006188900000000, -0.0002915900000000, 0.0002726500000000 ] - [ 0.0010302000000000, 0.0004976700000000, 0.0004094700000000 ] - [ -0.0006306400000000, -0.0023150100000000, -0.0014638800000000 ] - [ 0.0018111100000000, -0.0008673400000000, -0.0004211600000000 ] - [ -0.0013556800000000, 0.0007422100000000, 0.0003006600000000 ] - [ 0.0016392600000000, -0.0008015300000000, 0.0003293100000000 ] - [ 0.1060203900000000, -0.1115064300000000, 0.0755515400000000 ] - [ -0.0018049900000000, 0.0003043700000000, 0.0017315700000000 ] - [ 0.0008012000000000, 0.0005006400000000, 0.0000023000000000 ] - [ -0.0005093900000000, -0.0001537900000000, 0.0009675700000000 ] - [ -0.0049561900000000, 0.0100969300000000, 0.0074724800000000 ] - [ -0.0004292400000000, 0.0026507000000000, -0.0031981900000000 ] - [ 0.0001542500000000, -0.0001401500000000, -0.0030990700000000 ] - [ -0.0001483200000000, 0.0001680400000000, -0.0023466300000000 ] - [ 0.0073430800000000, -0.0046547800000000, -0.0020169700000000 ] - [ -0.0015423500000000, 0.0003474500000000, -0.0012972100000000 ] - [ -0.0026326600000000, -0.0063710400000000, -0.0076008900000000 ] - [ -0.0005100300000000, -0.0002604900000000, -0.0011447600000000 ] - [ -0.0025143300000000, 0.0065502700000000, -0.0091279700000000 ] - [ -0.0003582800000000, 0.0011493800000000, 0.0040754900000000 ] - [ 0.0014852200000000, 0.0007878300000000, 0.0013080700000000 ] - [ -0.0007484500000000, 0.0000559500000000, 0.0011033200000000 ] - [ 0.0157817200000000, -0.0393785700000000, 0.0275012700000000 ] - [ -0.0026434400000000, -0.0050063100000000, 0.0000162200000000 ] - [ 0.0024999000000000, -0.0034400600000000, -0.0019832500000000 ] - [ 0.0001998000000000, -0.0033442300000000, -0.0002085000000000 ] - [ -0.0013126900000000, 0.0027702400000000, 0.0036289700000000 ] - [ 0.0023023600000000, 0.0004297600000000, 0.0025418200000000 ] - [ -0.0008678000000000, 0.0025603500000000, -0.0024826300000000 ] - [ 0.0025506100000000, 0.0026510200000000, -0.0000689200000000 ] - [ -0.0014871500000000, 0.0081691200000000, -0.0001184000000000 ] - [ -0.0087697400000000, 0.0042744200000000, 0.0207194400000000 ] - [ -0.0008044300000000, 0.0035316600000000, -0.0002892200000000 ] - [ -0.0020781100000000, 0.0035747000000000, -0.0024336000000000 ] - [ 0.0047798700000000, 0.0086971300000000, 0.0041265200000000 ] - [ -0.0031071600000000, -0.0027408800000000, -0.0004283300000000 ] - [ 0.0008578200000000, -0.0034247100000000, -0.0026673400000000 ] - [ -0.0025386500000000, -0.0027398800000000, 0.0003040900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.3023884200000000, 0.1453232900000000, -0.4609973600000000 ] - [ 0.0037222000000000, -0.0010411200000000, -0.0011225800000000 ] - [ 0.0039913700000000, -0.0012954900000000, 0.0058878300000000 ] - [ 0.0039959400000000, -0.0008721400000000, 0.0021760500000000 ] - [ 0.0031623200000000, 0.0010120000000000, -0.0053991600000000 ] - [ 0.0077825800000000, 0.0038882900000000, -0.0053746700000000 ] - [ 0.0019258600000000, 0.0000502300000000, 0.0033728000000000 ] - [ 0.0003589400000000, -0.0008316300000000, 0.0033701300000000 ] - [ 0.0023277000000000, -0.0005751900000000, -0.0054807500000000 ] - [ 0.0046714000000000, -0.0054514000000000, -0.0165645400000000 ] - [ -0.0033294800000000, 0.0006726200000000, 0.0019448600000000 ] - [ -0.0049847300000000, 0.0017637800000000, 0.0065744600000000 ] - [ -0.0100244400000000, -0.0047808700000000, -0.0101176600000000 ] - [ -0.0007469500000000, 0.0003561800000000, -0.0006433800000000 ] - [ -0.0006387800000000, 0.0008132000000000, 0.0045575200000000 ] - [ -0.0014599800000000, -0.0001203800000000, 0.0021817900000000 ] - [ 0.0033374700000000, -0.0001207300000000, 0.0032849900000000 ] - [ -0.0110655800000000, 0.0058725400000000, -0.0069960300000000 ] - [ -0.0027345100000000, 0.0003879100000000, 0.0006167300000000 ] - [ 0.0027738500000000, -0.0027638800000000, 0.0113408300000000 ] - [ -0.0033611300000000, -0.0012771100000000, 0.0038458400000000 ] - [ -0.0021540200000000, -0.0003068700000000, -0.0007710700000000 ] - [ -0.0081557200000000, -0.0038517400000000, 0.0038379000000000 ] - [ -0.0002267700000000, 0.0005071400000000, -0.0007530400000000 ] - [ -0.0038393900000000, 0.0076997800000000, 0.0384474300000000 ] - [ 0.0048239500000000, -0.0014324500000000, -0.0014626500000000 ] - [ -0.0021282800000000, 0.0019057500000000, 0.0093057600000000 ] - [ 0.0031560800000000, -0.0005994900000000, 0.0002739600000000 ] - [ 0.0064122800000000, 0.0009187100000000, 0.0046608800000000 ] - [ 0.0001830400000000, -0.0008629000000000, -0.0013348500000000 ] - [ 0.0004140100000000, -0.0003568900000000, -0.0013167600000000 ] - [ 0.0076615800000000, 0.0046592200000000, 0.0046576400000000 ] - [ 0.0115769000000000, -0.0128118300000000, 0.0127623600000000 ] - [ -0.0038303400000000, 0.0053152800000000, -0.0022232700000000 ] - [ -0.0059657800000000, 0.0067892500000000, 0.0036300200000000 ] - [ -0.0039025600000000, 0.0056500500000000, 0.0021290000000000 ] - [ -0.0046890500000000, -0.0064059000000000, -0.0016590700000000 ] - [ 0.0158750100000000, -0.0088452300000000, 0.0239712600000000 ] - [ -0.0036826900000000, -0.0055578100000000, 0.0019485000000000 ] - [ -0.0090202100000000, -0.0057945300000000, 0.0058408200000000 ] - [ 0.0106049600000000, -0.0155039400000000, 0.0204525100000000 ] - [ 0.0058034000000000, 0.0064955300000000, -0.0014013000000000 ] - [ 0.0025285300000000, 0.0092354200000000, 0.0068122100000000 ] - [ 0.0056249500000000, 0.0059971900000000, 0.0016845100000000 ] - [ 0.0082329700000000, -0.0095840300000000, -0.0029872800000000 ] - [ 0.0055940100000000, -0.0063178900000000, -0.0052672500000000 ] - [ 0.0041784800000000, -0.0059961100000000, 0.0024261800000000 ] - [ 0.0059426700000000, -0.0065823500000000, 0.0036210500000000 ] - [ 0.0258329800000000, 0.0135970400000000, 0.0060426800000000 ] - [ 0.0020262600000000, 0.0009811800000000, -0.0024685200000000 ] - [ -0.0020490900000000, -0.0009933300000000, 0.0015394400000000 ] - [ 0.0024295600000000, 0.0011672400000000, 0.0016114300000000 ] - [ -0.0002301900000000, -0.0000821500000000, -0.0005576900000000 ] - [ 0.0012190300000000, -0.0005544300000000, -0.0006216900000000 ] - [ -0.0021101000000000, 0.0008723700000000, 0.0011151300000000 ] - [ 0.0020813700000000, -0.0009809100000000, 0.0008737400000000 ] - [ 0.1064058200000000, -0.0789296300000000, 0.1131439000000000 ] - [ -0.0032664700000000, 0.0021227700000000, 0.0061708200000000 ] - [ 0.0009037300000000, 0.0000976300000000, -0.0089612900000000 ] - [ -0.0006371500000000, -0.0001645600000000, -0.0020601700000000 ] - [ 0.0015585600000000, 0.0066521600000000, 0.0193571100000000 ] - [ -0.0044221600000000, -0.0017554600000000, 0.0042965700000000 ] - [ -0.0003734200000000, -0.0008305200000000, -0.0078632600000000 ] - [ 0.0003659400000000, 0.0009795500000000, -0.0066969900000000 ] - [ 0.0278222000000000, -0.0201448000000000, -0.0168956400000000 ] - [ -0.0044253700000000, 0.0027163100000000, -0.0042480900000000 ] - [ 0.0021067200000000, -0.0000443700000000, -0.0225016300000000 ] - [ -0.0002612700000000, -0.0000013400000000, -0.0006688600000000 ] - [ -0.0044456200000000, 0.0051349200000000, -0.0076820200000000 ] - [ 0.0012843400000000, 0.0010333400000000, 0.0059069600000000 ] - [ 0.0043243400000000, 0.0016795800000000, -0.0029785100000000 ] - [ -0.0046810200000000, -0.0016266800000000, -0.0026898300000000 ] - [ 0.1203702000000000, -0.0278644500000000, 0.2656038100000000 ] - [ -0.0016697700000000, -0.0028867500000000, 0.0022435300000000 ] - [ 0.0044700500000000, -0.0038510100000000, -0.0101151500000000 ] - [ -0.0014299700000000, -0.0034631100000000, -0.0020647100000000 ] - [ 0.0013948100000000, 0.0033950900000000, 0.0036668700000000 ] - [ -0.0105955100000000, -0.0115357700000000, 0.0010808500000000 ] - [ -0.0017780800000000, 0.0028944500000000, -0.0052546500000000 ] - [ 0.0063979500000000, 0.0055554700000000, -0.0024998800000000 ] - [ -0.0171182700000000, -0.0064077900000000, 0.0046015300000000 ] - [ -0.0019762300000000, 0.0022621700000000, 0.0194291400000000 ] - [ 0.0006752200000000, 0.0038006200000000, -0.0022848000000000 ] - [ -0.0042882100000000, 0.0033685700000000, -0.0103402700000000 ] - [ 0.0138464600000000, 0.0107262200000000, 0.0054741100000000 ] - [ -0.0038938200000000, -0.0038684200000000, 0.0011578000000000 ] - [ -0.0009665100000000, -0.0053982200000000, -0.0061611800000000 ] - [ -0.0032309300000000, -0.0030265000000000, -0.0014437500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.3018472900000000, -0.1472732400000000, 0.4473375300000000 ] - [ 0.0013021900000000, 0.0002153100000000, 0.0009019500000000 ] - [ 0.0010121600000000, 0.0004737500000000, -0.0060827700000000 ] - [ 0.0010080900000000, 0.0000528300000000, -0.0023884300000000 ] - [ 0.0018319800000000, -0.0001800000000000, 0.0055829600000000 ] - [ -0.0027536500000000, -0.0030549400000000, 0.0056075300000000 ] - [ 0.0030705400000000, 0.0007650800000000, -0.0031270300000000 ] - [ 0.0046204100000000, 0.0016395000000000, -0.0031296100000000 ] - [ -0.0072712200000000, 0.0013807800000000, 0.0052018900000000 ] - [ -0.0092774600000000, 0.0060187500000000, 0.0162413800000000 ] - [ -0.0016665700000000, 0.0001445200000000, -0.0021610300000000 ] - [ -0.0000306800000000, -0.0009373600000000, -0.0067613800000000 ] - [ 0.0049714000000000, 0.0039266700000000, 0.0102912700000000 ] - [ -0.0042156600000000, -0.0011684300000000, 0.0008839400000000 ] - [ -0.0043431200000000, -0.0016205400000000, -0.0043010500000000 ] - [ -0.0035307100000000, -0.0006953000000000, -0.0019505300000000 ] - [ -0.0082738500000000, 0.0009318100000000, -0.0030242200000000 ] - [ 0.0059652600000000, -0.0049847900000000, 0.0070835000000000 ] - [ -0.0022565100000000, 0.0004263100000000, -0.0003813800000000 ] - [ -0.0077564000000000, 0.0035816400000000, -0.0110666200000000 ] - [ -0.0016454600000000, 0.0004520000000000, -0.0040388500000000 ] - [ -0.0028258000000000, -0.0005063300000000, 0.0005189200000000 ] - [ 0.0031468000000000, 0.0030293800000000, -0.0040469600000000 ] - [ -0.0047617500000000, -0.0013216000000000, 0.0005372200000000 ] - [ 0.0087959300000000, -0.0084640700000000, -0.0373136500000000 ] - [ 0.0002112100000000, 0.0006044300000000, 0.0016593600000000 ] - [ 0.0071048700000000, -0.0027126000000000, -0.0090355400000000 ] - [ 0.0018415400000000, -0.0002174400000000, -0.0000426800000000 ] - [ -0.0013835800000000, -0.0000977500000000, -0.0048485100000000 ] - [ 0.0047831800000000, 0.0016617200000000, 0.0010742800000000 ] - [ 0.0045805300000000, 0.0011738000000000, 0.0010926300000000 ] - [ -0.0026451900000000, -0.0038347400000000, -0.0048517100000000 ] - [ -0.0207845500000000, 0.0243905900000000, -0.0125408400000000 ] - [ -0.0056632300000000, 0.0065887000000000, 0.0022061500000000 ] - [ -0.0035505400000000, 0.0051309500000000, -0.0036097100000000 ] - [ -0.0056060100000000, 0.0062637100000000, -0.0021148500000000 ] - [ -0.0048192700000000, -0.0055139800000000, 0.0016540800000000 ] - [ -0.0257310700000000, -0.0030966600000000, -0.0242404600000000 ] - [ -0.0058172700000000, -0.0063538000000000, -0.0019392300000000 ] - [ -0.0005467200000000, -0.0061222000000000, -0.0058000800000000 ] - [ -0.0011678000000000, 0.0277403300000000, -0.0206158500000000 ] - [ 0.0037222000000000, 0.0054268100000000, 0.0013987600000000 ] - [ 0.0069572300000000, 0.0027273500000000, -0.0067536400000000 ] - [ 0.0038986100000000, 0.0059208200000000, -0.0016787300000000 ] - [ 0.0013260100000000, -0.0023825000000000, 0.0029591200000000 ] - [ 0.0039506800000000, -0.0056397500000000, 0.0051861200000000 ] - [ 0.0053343000000000, -0.0059219700000000, -0.0024109800000000 ] - [ 0.0035699500000000, -0.0053337400000000, -0.0036025700000000 ] - [ -0.0254374700000000, -0.0134064000000000, -0.0059934200000000 ] - [ -0.0019524100000000, -0.0009383400000000, 0.0024210700000000 ] - [ 0.0020461500000000, 0.0009918000000000, -0.0015315200000000 ] - [ -0.0024277800000000, -0.0011659200000000, -0.0016035600000000 ] - [ 0.0002026300000000, 0.0001076300000000, 0.0005724300000000 ] - [ -0.0012011000000000, 0.0005460700000000, 0.0006242100000000 ] - [ 0.0020821100000000, -0.0008602500000000, -0.0011098300000000 ] - [ -0.0020556600000000, 0.0009687200000000, -0.0008702500000000 ] - [ -0.1106723800000000, 0.0821090400000000, -0.1110860300000000 ] - [ 0.0032238900000000, -0.0020966900000000, -0.0029504300000000 ] - [ -0.0008890700000000, -0.0000955300000000, 0.0120943000000000 ] - [ 0.0006285800000000, 0.0001621300000000, 0.0052394500000000 ] - [ -0.0015307800000000, -0.0066174800000000, -0.0223358600000000 ] - [ 0.0043614400000000, 0.0017705700000000, -0.0074714800000000 ] - [ 0.0003672100000000, 0.0008259100000000, 0.0046277600000000 ] - [ -0.0003602400000000, -0.0009750400000000, 0.0034755200000000 ] - [ -0.0275041600000000, 0.0199110500000000, 0.0136167200000000 ] - [ 0.0043745600000000, -0.0026875200000000, 0.0010451400000000 ] - [ -0.0020789300000000, 0.0000222500000000, 0.0192247600000000 ] - [ 0.0002554500000000, 0.0000004000000000, -0.0025351000000000 ] - [ 0.0044162800000000, -0.0051077000000000, 0.0107789500000000 ] - [ -0.0012879600000000, -0.0010111100000000, -0.0026342100000000 ] - [ -0.0043091200000000, -0.0016725800000000, 0.0061456700000000 ] - [ 0.0046610900000000, 0.0016178300000000, 0.0058495700000000 ] - [ -0.1089647300000000, 0.0197841500000000, -0.2518450900000000 ] - [ 0.0038749600000000, -0.0033928800000000, -0.0022261900000000 ] - [ -0.0021772200000000, -0.0024114500000000, 0.0100652800000000 ] - [ 0.0037037400000000, -0.0027914500000000, 0.0020501300000000 ] - [ 0.0008825900000000, 0.0028670900000000, -0.0036677100000000 ] - [ 0.0128557700000000, 0.0177813900000000, -0.0011418700000000 ] - [ 0.0040257300000000, 0.0033623000000000, 0.0052180600000000 ] - [ -0.0040560500000000, 0.0007242200000000, 0.0025036500000000 ] - [ 0.0146941000000000, 0.0125882900000000, -0.0045633800000000 ] - [ -0.0004300900000000, 0.0040088900000000, -0.0189820000000000 ] - [ -0.0029577800000000, 0.0024610400000000, 0.0022685500000000 ] - [ 0.0020029400000000, 0.0028866000000000, 0.0102924900000000 ] - [ -0.0160867800000000, -0.0169929400000000, -0.0055136900000000 ] - [ 0.0015764500000000, -0.0023966300000000, -0.0011836900000000 ] - [ -0.0013057700000000, -0.0008808500000000, 0.0061194400000000 ] - [ 0.0009215600000000, -0.0032304000000000, 0.0014525000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0135547300000000, -0.0199655200000000, 0.0159866000000000 ] - [ 0.0049823200000000, -0.0010531100000000, 0.0008040500000000 ] - [ 0.0014138900000000, 0.0001657800000000, -0.0013191400000000 ] - [ 0.0034524100000000, -0.0006349800000000, 0.0007403900000000 ] - [ 0.0101659000000000, 0.0016725700000000, -0.0207845200000000 ] - [ 0.0041581000000000, 0.0010950800000000, 0.0000445400000000 ] - [ 0.0007376000000000, -0.0002303100000000, 0.0043597800000000 ] - [ 0.0036973100000000, 0.0010738500000000, -0.0009548600000000 ] - [ 0.0005685100000000, -0.0024998600000000, -0.0035698400000000 ] - [ 0.0011677600000000, -0.0012470800000000, -0.0009338900000000 ] - [ -0.0028763900000000, 0.0005474400000000, 0.0004666600000000 ] - [ -0.0016244300000000, 0.0001144100000000, -0.0012983200000000 ] - [ -0.0084406200000000, 0.0044762900000000, 0.0060312200000000 ] - [ -0.0004305000000000, 0.0001657200000000, 0.0011513900000000 ] - [ -0.0046486000000000, -0.0019308600000000, -0.0021123500000000 ] - [ -0.0009628700000000, -0.0000103300000000, 0.0009757600000000 ] - [ 0.0005685100000000, -0.0024998600000000, 0.0035698400000000 ] - [ 0.0011677600000000, -0.0012470800000000, 0.0009338900000000 ] - [ -0.0028763900000000, 0.0005474400000000, -0.0004666600000000 ] - [ -0.0016244300000000, 0.0001144100000000, 0.0012983200000000 ] - [ -0.0084406200000000, 0.0044762900000000, -0.0060312200000000 ] - [ -0.0004305000000000, 0.0001657200000000, -0.0011513900000000 ] - [ -0.0046486000000000, -0.0019308600000000, 0.0021123500000000 ] - [ -0.0009628700000000, -0.0000103300000000, -0.0009757600000000 ] - [ 0.0135547300000000, -0.0199655200000000, -0.0159866000000000 ] - [ 0.0049823200000000, -0.0010531100000000, -0.0008040500000000 ] - [ 0.0014138900000000, 0.0001657800000000, 0.0013191400000000 ] - [ 0.0034524100000000, -0.0006349800000000, -0.0007403900000000 ] - [ 0.0101659000000000, 0.0016725700000000, 0.0207845200000000 ] - [ 0.0041581000000000, 0.0010950800000000, -0.0000445400000000 ] - [ 0.0007376000000000, -0.0002303100000000, -0.0043597800000000 ] - [ 0.0036973100000000, 0.0010738500000000, 0.0009548600000000 ] - [ -0.1957696300000000, 0.1881872600000000, 0.0000000000000000 ] - [ -0.0031551500000000, 0.0051219000000000, 0.0000000000000000 ] - [ -0.0064343200000000, 0.0061720700000000, 0.0000000000000000 ] - [ -0.0040053300000000, 0.0056980000000000, 0.0000000000000000 ] - [ -0.0037096500000000, -0.0052699900000000, -0.0016477100000000 ] - [ -0.0037081000000000, -0.0054477700000000, 0.0019414400000000 ] - [ -0.0037096500000000, -0.0052699900000000, 0.0016477100000000 ] - [ -0.0037081000000000, -0.0054477700000000, -0.0019414400000000 ] - [ 0.0054019200000000, 0.0042589400000000, 0.0038653400000000 ] - [ 0.0057724700000000, 0.0064455500000000, -0.0006445700000000 ] - [ 0.0054019200000000, 0.0042589400000000, -0.0038653400000000 ] - [ 0.0057724700000000, 0.0064455500000000, 0.0006445700000000 ] - [ 0.0268956500000000, -0.0610493400000000, 0.0000000000000000 ] - [ 0.0066029700000000, -0.0070843800000000, 0.0000000000000000 ] - [ 0.0039171500000000, -0.0064135300000000, 0.0000000000000000 ] - [ 0.0055243300000000, -0.0061971900000000, 0.0000000000000000 ] - [ -0.0093629200000000, 0.0015979500000000, 0.0000000000000000 ] - [ 0.0039238100000000, 0.0020493700000000, 0.0000000000000000 ] - [ -0.0015768700000000, -0.0007163900000000, 0.0000000000000000 ] - [ 0.0017404300000000, 0.0008282200000000, 0.0000000000000000 ] - [ -0.0001830400000000, 0.0000514300000000, 0.0003716400000000 ] - [ 0.0036924300000000, -0.0016101600000000, -0.0008268600000000 ] - [ -0.0001830400000000, 0.0000514300000000, -0.0003716400000000 ] - [ 0.0036924300000000, -0.0016101600000000, 0.0008268600000000 ] - [ -0.0084981800000000, 0.0031542200000000, -0.0049483500000000 ] - [ -0.0035435600000000, 0.0006641000000000, 0.0032666600000000 ] - [ 0.0000272200000000, -0.0008098000000000, 0.0047594900000000 ] - [ -0.0006681900000000, -0.0005089700000000, -0.0002344600000000 ] - [ 0.0541633600000000, -0.0298182500000000, -0.0181537700000000 ] - [ -0.0032807300000000, -0.0002319800000000, -0.0020778900000000 ] - [ 0.0041166500000000, 0.0023414900000000, -0.0022174500000000 ] - [ -0.0018314400000000, -0.0006176600000000, -0.0015812700000000 ] - [ -0.0084981800000000, 0.0031542200000000, 0.0049483500000000 ] - [ -0.0035435600000000, 0.0006641000000000, -0.0032666600000000 ] - [ 0.0000272200000000, -0.0008098000000000, -0.0047594900000000 ] - [ -0.0006681900000000, -0.0005089700000000, 0.0002344600000000 ] - [ 0.0541633600000000, -0.0298182500000000, 0.0181537700000000 ] - [ -0.0032807300000000, -0.0002319800000000, 0.0020778900000000 ] - [ 0.0041166500000000, 0.0023414900000000, 0.0022174500000000 ] - [ -0.0018314400000000, -0.0006176600000000, 0.0015812700000000 ] - [ 0.0608106600000000, -0.0521151800000000, 0.0000000000000000 ] - [ -0.0038761300000000, -0.0035363400000000, 0.0000000000000000 ] - [ 0.0037807600000000, -0.0037476900000000, 0.0000000000000000 ] - [ -0.0009059600000000, -0.0031554000000000, 0.0000000000000000 ] - [ -0.0031426600000000, 0.0005565700000000, 0.0061616200000000 ] - [ -0.0008641100000000, 0.0017594900000000, -0.0013326700000000 ] - [ -0.0031426600000000, 0.0005565700000000, -0.0061616200000000 ] - [ -0.0008641100000000, 0.0017594900000000, 0.0013326700000000 ] - [ -0.0063746500000000, 0.0165045000000000, 0.0000000000000000 ] - [ -0.0065656100000000, 0.0032583300000000, 0.0000000000000000 ] - [ 0.0002981400000000, 0.0036127300000000, 0.0000000000000000 ] - [ -0.0031327900000000, 0.0032204900000000, 0.0000000000000000 ] - [ -0.0000655200000000, -0.0002428200000000, -0.0028619600000000 ] - [ -0.0047612400000000, -0.0025312100000000, -0.0001382800000000 ] - [ -0.0000655200000000, -0.0002428200000000, 0.0028619600000000 ] - [ -0.0047612400000000, -0.0025312100000000, 0.0001382800000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0086026900000000, 0.0193585000000000, -0.0163745700000000 ] - [ 0.0000129600000000, 0.0002377500000000, -0.0010292400000000 ] - [ 0.0035813600000000, -0.0009814300000000, 0.0010956500000000 ] - [ 0.0015420400000000, -0.0001798300000000, -0.0009633500000000 ] - [ -0.0050945800000000, -0.0008924300000000, 0.0208216000000000 ] - [ 0.0008377900000000, -0.0002800000000000, 0.0001754300000000 ] - [ 0.0042515800000000, 0.0010436200000000, -0.0041135000000000 ] - [ 0.0012982800000000, -0.0002599300000000, 0.0011801600000000 ] - [ -0.0055584900000000, 0.0033064400000000, 0.0033371900000000 ] - [ -0.0061654900000000, 0.0020688000000000, 0.0007094200000000 ] - [ -0.0021206400000000, 0.0002689600000000, -0.0006894900000000 ] - [ -0.0033696000000000, 0.0007006000000000, 0.0010738600000000 ] - [ 0.0034564700000000, -0.0053171000000000, -0.0057414700000000 ] - [ -0.0045654600000000, -0.0009810300000000, -0.0009293200000000 ] - [ -0.0003491800000000, 0.0011104800000000, 0.0023169100000000 ] - [ -0.0040328700000000, -0.0008040900000000, -0.0007502100000000 ] - [ -0.0055584900000000, 0.0033064400000000, -0.0033371900000000 ] - [ -0.0061654900000000, 0.0020688000000000, -0.0007094200000000 ] - [ -0.0021206400000000, 0.0002689600000000, 0.0006894900000000 ] - [ -0.0033696000000000, 0.0007006000000000, -0.0010738600000000 ] - [ 0.0034564700000000, -0.0053171000000000, 0.0057414700000000 ] - [ -0.0045654600000000, -0.0009810300000000, 0.0009293200000000 ] - [ -0.0003491800000000, 0.0011104800000000, -0.0023169100000000 ] - [ -0.0040328700000000, -0.0008040900000000, 0.0007502100000000 ] - [ -0.0086026900000000, 0.0193585000000000, 0.0163745700000000 ] - [ 0.0000129600000000, 0.0002377500000000, 0.0010292400000000 ] - [ 0.0035813600000000, -0.0009814300000000, -0.0010956500000000 ] - [ 0.0015420400000000, -0.0001798300000000, 0.0009633500000000 ] - [ -0.0050945800000000, -0.0008924300000000, -0.0208216000000000 ] - [ 0.0008377900000000, -0.0002800000000000, -0.0001754300000000 ] - [ 0.0042515800000000, 0.0010436200000000, 0.0041135000000000 ] - [ 0.0012982800000000, -0.0002599300000000, -0.0011801600000000 ] - [ 0.1859413500000000, -0.1761417600000000, 0.0000000000000000 ] - [ -0.0063587800000000, 0.0067937900000000, 0.0000000000000000 ] - [ -0.0030831700000000, 0.0057396600000000, 0.0000000000000000 ] - [ -0.0055065400000000, 0.0062176300000000, 0.0000000000000000 ] - [ -0.0058048100000000, -0.0066482000000000, 0.0016437400000000 ] - [ -0.0058033000000000, -0.0064665300000000, -0.0019481900000000 ] - [ -0.0058048100000000, -0.0066482000000000, -0.0016437400000000 ] - [ -0.0058033000000000, -0.0064665300000000, 0.0019481900000000 ] - [ 0.0041160500000000, 0.0076753200000000, -0.0038765600000000 ] - [ 0.0037399100000000, 0.0054710000000000, 0.0006416300000000 ] - [ 0.0041160500000000, 0.0076753200000000, 0.0038765600000000 ] - [ 0.0037399100000000, 0.0054710000000000, -0.0006416300000000 ] - [ -0.0173305800000000, 0.0485158100000000, 0.0000000000000000 ] - [ 0.0029071000000000, -0.0048309200000000, 0.0000000000000000 ] - [ 0.0055907300000000, -0.0055035400000000, 0.0000000000000000 ] - [ 0.0039882800000000, -0.0057194000000000, 0.0000000000000000 ] - [ 0.0093046600000000, -0.0016262500000000, 0.0000000000000000 ] - [ -0.0039249200000000, -0.0020499500000000, 0.0000000000000000 ] - [ 0.0015747800000000, 0.0007154100000000, 0.0000000000000000 ] - [ -0.0017394800000000, -0.0008273500000000, 0.0000000000000000 ] - [ 0.0001935500000000, -0.0000571600000000, -0.0003686800000000 ] - [ -0.0036996300000000, 0.0016139600000000, 0.0008303200000000 ] - [ 0.0001935500000000, -0.0000571600000000, 0.0003686800000000 ] - [ -0.0036996300000000, 0.0016139600000000, -0.0008303200000000 ] - [ 0.0084792100000000, -0.0031658300000000, 0.0081411700000000 ] - [ 0.0035407900000000, -0.0006634500000000, -0.0000646900000000 ] - [ -0.0000301000000000, 0.0008060100000000, -0.0015633900000000 ] - [ 0.0006689500000000, 0.0005085900000000, 0.0034271900000000 ] - [ -0.0541603500000000, 0.0290445300000000, 0.0139049000000000 ] - [ 0.0032812300000000, 0.0002315400000000, -0.0011142700000000 ] - [ -0.0040988400000000, -0.0023287700000000, -0.0009755600000000 ] - [ 0.0018301600000000, 0.0006181200000000, -0.0016148700000000 ] - [ 0.0084792100000000, -0.0031658300000000, -0.0081411700000000 ] - [ 0.0035407900000000, -0.0006634500000000, 0.0000646900000000 ] - [ -0.0000301000000000, 0.0008060100000000, 0.0015633900000000 ] - [ 0.0006689500000000, 0.0005085900000000, -0.0034271900000000 ] - [ -0.0541603500000000, 0.0290445300000000, -0.0139049000000000 ] - [ 0.0032812300000000, 0.0002315400000000, 0.0011142700000000 ] - [ -0.0040988400000000, -0.0023287700000000, 0.0009755600000000 ] - [ 0.0018301600000000, 0.0006181200000000, 0.0016148700000000 ] - [ -0.0582353500000000, 0.0476136000000000, 0.0000000000000000 ] - [ 0.0061586600000000, -0.0027213300000000, 0.0000000000000000 ] - [ -0.0014985700000000, -0.0025081900000000, 0.0000000000000000 ] - [ 0.0031878800000000, -0.0031024900000000, 0.0000000000000000 ] - [ 0.0054340700000000, 0.0057177600000000, -0.0062081000000000 ] - [ 0.0031396800000000, 0.0045049700000000, 0.0013387700000000 ] - [ 0.0054340700000000, 0.0057177600000000, 0.0062081000000000 ] - [ 0.0031396800000000, 0.0045049700000000, -0.0013387700000000 ] - [ 0.0041444000000000, -0.0102792000000000, 0.0000000000000000 ] - [ 0.0042814700000000, 0.0030007800000000, 0.0000000000000000 ] - [ -0.0025775100000000, 0.0026434600000000, 0.0000000000000000 ] - [ 0.0008464700000000, 0.0030372300000000, 0.0000000000000000 ] - [ -0.0022657000000000, -0.0060126200000000, 0.0028222500000000 ] - [ 0.0024821900000000, -0.0037320300000000, 0.0001437700000000 ] - [ -0.0022657000000000, -0.0060126200000000, -0.0028222500000000 ] - [ 0.0024821900000000, -0.0037320300000000, -0.0001437700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0158990600000000, 0.0174316800000000, -0.0188986700000000 ] - [ 0.0008342800000000, 0.0001263700000000, -0.0007546100000000 ] - [ 0.0033327300000000, -0.0007733400000000, 0.0007255100000000 ] - [ 0.0020042000000000, -0.0002729800000000, -0.0004200800000000 ] - [ 0.0061827200000000, -0.0062274900000000, -0.0026155600000000 ] - [ 0.0021265500000000, -0.0000788700000000, -0.0003387900000000 ] - [ 0.0020011100000000, 0.0002226700000000, 0.0002544200000000 ] - [ 0.0024408300000000, -0.0000756300000000, 0.0005154800000000 ] - [ -0.0042163200000000, 0.0060720900000000, 0.0034567000000000 ] - [ -0.0063008900000000, 0.0033032300000000, 0.0002298000000000 ] - [ -0.0027150500000000, 0.0005738000000000, -0.0000736500000000 ] - [ -0.0026779400000000, 0.0006475100000000, 0.0005178900000000 ] - [ 0.0058190100000000, 0.0057379700000000, 0.0217527300000000 ] - [ -0.0034846300000000, -0.0006610500000000, -0.0004314300000000 ] - [ -0.0021793100000000, -0.0009062200000000, -0.0031468500000000 ] - [ -0.0028151800000000, -0.0005433400000000, 0.0000724300000000 ] - [ -0.0042163200000000, 0.0060720900000000, -0.0034567000000000 ] - [ -0.0063008900000000, 0.0033032300000000, -0.0002298000000000 ] - [ -0.0027150500000000, 0.0005738000000000, 0.0000736500000000 ] - [ -0.0026779400000000, 0.0006475100000000, -0.0005178900000000 ] - [ 0.0058190100000000, 0.0057379700000000, -0.0217527300000000 ] - [ -0.0034846300000000, -0.0006610500000000, 0.0004314300000000 ] - [ -0.0021793100000000, -0.0009062200000000, 0.0031468500000000 ] - [ -0.0028151800000000, -0.0005433400000000, -0.0000724300000000 ] - [ -0.0158990600000000, 0.0174316800000000, 0.0188986700000000 ] - [ 0.0008342800000000, 0.0001263700000000, 0.0007546100000000 ] - [ 0.0033327300000000, -0.0007733400000000, -0.0007255100000000 ] - [ 0.0020042000000000, -0.0002729800000000, 0.0004200800000000 ] - [ 0.0061827200000000, -0.0062274900000000, 0.0026155600000000 ] - [ 0.0021265500000000, -0.0000788700000000, 0.0003387900000000 ] - [ 0.0020011100000000, 0.0002226700000000, -0.0002544200000000 ] - [ 0.0024408300000000, -0.0000756300000000, -0.0005154800000000 ] - [ 0.1784858100000000, -0.4597278900000000, 0.0000000000000000 ] - [ -0.0055969700000000, 0.0064752400000000, 0.0000000000000000 ] - [ -0.0045324000000000, 0.0047180600000000, 0.0000000000000000 ] - [ -0.0050185200000000, 0.0061598400000000, 0.0000000000000000 ] - [ -0.0052743300000000, -0.0057549500000000, 0.0007920100000000 ] - [ -0.0054524500000000, -0.0057388800000000, -0.0026159600000000 ] - [ -0.0052743300000000, -0.0057549500000000, -0.0007920100000000 ] - [ -0.0054524500000000, -0.0057388800000000, 0.0026159600000000 ] - [ 0.0064791100000000, 0.0101776500000000, -0.0024839200000000 ] - [ 0.0042663300000000, 0.0056072100000000, 0.0000549500000000 ] - [ 0.0064791100000000, 0.0101776500000000, 0.0024839200000000 ] - [ 0.0042663300000000, 0.0056072100000000, -0.0000549500000000 ] - [ -0.0494907700000000, 0.0791879200000000, 0.0000000000000000 ] - [ 0.0036209900000000, -0.0047755000000000, 0.0000000000000000 ] - [ 0.0043013700000000, -0.0058537200000000, 0.0000000000000000 ] - [ 0.0045145400000000, -0.0058276400000000, 0.0000000000000000 ] - [ 0.0290129100000000, 0.0524756200000000, 0.0000000000000000 ] - [ -0.0026552500000000, -0.0014671100000000, 0.0000000000000000 ] - [ 0.0005775400000000, 0.0002826000000000, 0.0000000000000000 ] - [ -0.0007033300000000, -0.0003468100000000, 0.0000000000000000 ] - [ 0.0033042500000000, -0.0018083100000000, 0.0008413400000000 ] - [ 0.0001234600000000, 0.0000334700000000, -0.0003324500000000 ] - [ 0.0033042500000000, -0.0018083100000000, -0.0008413400000000 ] - [ 0.0001234600000000, 0.0000334700000000, 0.0003324500000000 ] - [ 0.0081788500000000, -0.0069333100000000, 0.0117952600000000 ] - [ 0.0020366800000000, -0.0002650600000000, 0.0008483400000000 ] - [ -0.0007569100000000, -0.0004418700000000, -0.0000666700000000 ] - [ 0.0006521300000000, 0.0001537400000000, 0.0019148500000000 ] - [ -0.0323223700000000, 0.0812578800000000, 0.0279156400000000 ] - [ 0.0014501200000000, -0.0003484700000000, -0.0010222700000000 ] - [ 0.0015634200000000, 0.0015314700000000, -0.0006911900000000 ] - [ 0.0004635900000000, -0.0001164800000000, -0.0017055700000000 ] - [ 0.0081788500000000, -0.0069333100000000, -0.0117952600000000 ] - [ 0.0020366800000000, -0.0002650600000000, -0.0008483400000000 ] - [ -0.0007569100000000, -0.0004418700000000, 0.0000666700000000 ] - [ 0.0006521300000000, 0.0001537400000000, -0.0019148500000000 ] - [ -0.0323223700000000, 0.0812578800000000, -0.0279156400000000 ] - [ 0.0014501200000000, -0.0003484700000000, 0.0010222700000000 ] - [ 0.0015634200000000, 0.0015314700000000, 0.0006911900000000 ] - [ 0.0004635900000000, -0.0001164800000000, 0.0017055700000000 ] - [ -0.0606845000000000, 0.1568589500000000, 0.0000000000000000 ] - [ 0.0041190600000000, -0.0025806700000000, 0.0000000000000000 ] - [ -0.0004853800000000, -0.0022166100000000, 0.0000000000000000 ] - [ 0.0020045700000000, -0.0031421100000000, 0.0000000000000000 ] - [ 0.0023059600000000, 0.0019937900000000, 0.0001071400000000 ] - [ 0.0005000800000000, 0.0060297400000000, 0.0012132400000000 ] - [ 0.0023059600000000, 0.0019937900000000, -0.0001071400000000 ] - [ 0.0005000800000000, 0.0060297400000000, -0.0012132400000000 ] - [ -0.0181315700000000, -0.0328866300000000, 0.0000000000000000 ] - [ 0.0028983800000000, 0.0024795300000000, 0.0000000000000000 ] - [ -0.0010294400000000, 0.0023417700000000, 0.0000000000000000 ] - [ -0.0004665400000000, 0.0031859400000000, 0.0000000000000000 ] - [ -0.0123032500000000, -0.0049066900000000, -0.0096250800000000 ] - [ -0.0000380000000000, -0.0027177200000000, 0.0001983500000000 ] - [ -0.0123032500000000, -0.0049066900000000, 0.0096250800000000 ] - [ -0.0000380000000000, -0.0027177200000000, -0.0001983500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0204817900000000, -0.0178700500000000, 0.0183054300000000 ] - [ 0.0041519100000000, -0.0009496900000000, 0.0005189500000000 ] - [ 0.0016786000000000, -0.0000497000000000, -0.0009331500000000 ] - [ 0.0029815700000000, -0.0005409300000000, 0.0001933400000000 ] - [ -0.0013482500000000, 0.0069852200000000, 0.0031330100000000 ] - [ 0.0028629800000000, 0.0008852200000000, 0.0005533400000000 ] - [ 0.0029977200000000, 0.0005896400000000, -0.0000733000000000 ] - [ 0.0025492300000000, 0.0008806500000000, -0.0002806300000000 ] - [ -0.0007179600000000, -0.0052649600000000, -0.0037442800000000 ] - [ 0.0012447500000000, -0.0024388600000000, -0.0004489400000000 ] - [ -0.0022852500000000, 0.0002450600000000, -0.0001481800000000 ] - [ -0.0023200300000000, 0.0001713100000000, -0.0007309700000000 ] - [ -0.0107571400000000, -0.0064809200000000, -0.0214902900000000 ] - [ -0.0015301400000000, -0.0001560200000000, 0.0006377200000000 ] - [ -0.0027979400000000, 0.0000974400000000, 0.0033609900000000 ] - [ -0.0021939300000000, -0.0002708300000000, 0.0001489700000000 ] - [ -0.0007179600000000, -0.0052649600000000, 0.0037442800000000 ] - [ 0.0012447500000000, -0.0024388600000000, 0.0004489400000000 ] - [ -0.0022852500000000, 0.0002450600000000, 0.0001481800000000 ] - [ -0.0023200300000000, 0.0001713100000000, 0.0007309700000000 ] - [ -0.0107571400000000, -0.0064809200000000, 0.0214902900000000 ] - [ -0.0015301400000000, -0.0001560200000000, -0.0006377200000000 ] - [ -0.0027979400000000, 0.0000974400000000, -0.0033609900000000 ] - [ -0.0021939300000000, -0.0002708300000000, -0.0001489700000000 ] - [ 0.0204817900000000, -0.0178700500000000, -0.0183054300000000 ] - [ 0.0041519100000000, -0.0009496900000000, -0.0005189500000000 ] - [ 0.0016786000000000, -0.0000497000000000, 0.0009331500000000 ] - [ 0.0029815700000000, -0.0005409300000000, -0.0001933400000000 ] - [ -0.0013482500000000, 0.0069852200000000, -0.0031330100000000 ] - [ 0.0028629800000000, 0.0008852200000000, -0.0005533400000000 ] - [ 0.0029977200000000, 0.0005896400000000, 0.0000733000000000 ] - [ 0.0025492300000000, 0.0008806500000000, 0.0002806300000000 ] - [ -0.1859681200000000, 0.4633018900000000, 0.0000000000000000 ] - [ -0.0039244200000000, 0.0054426100000000, 0.0000000000000000 ] - [ -0.0049645000000000, 0.0071856200000000, 0.0000000000000000 ] - [ -0.0044983000000000, 0.0057581100000000, 0.0000000000000000 ] - [ -0.0042552200000000, -0.0061902000000000, -0.0007941500000000 ] - [ -0.0040738000000000, -0.0061741500000000, 0.0025668800000000 ] - [ -0.0042552200000000, -0.0061902000000000, 0.0007941500000000 ] - [ -0.0040738000000000, -0.0061741500000000, -0.0025668800000000 ] - [ 0.0030618000000000, 0.0018141100000000, 0.0024374800000000 ] - [ 0.0052407500000000, 0.0063032000000000, -0.0000715600000000 ] - [ 0.0030618000000000, 0.0018141100000000, -0.0024374800000000 ] - [ 0.0052407500000000, 0.0063032000000000, 0.0000715600000000 ] - [ 0.0600812500000000, -0.0918965300000000, 0.0000000000000000 ] - [ 0.0058743600000000, -0.0071227400000000, 0.0000000000000000 ] - [ 0.0052108600000000, -0.0060532000000000, 0.0000000000000000 ] - [ 0.0049920200000000, -0.0060868400000000, 0.0000000000000000 ] - [ -0.0285244700000000, -0.0513610000000000, 0.0000000000000000 ] - [ 0.0026201400000000, 0.0014479900000000, 0.0000000000000000 ] - [ -0.0005663900000000, -0.0002777100000000, 0.0000000000000000 ] - [ 0.0006914900000000, 0.0003413700000000, 0.0000000000000000 ] - [ -0.0032545200000000, 0.0017834300000000, -0.0008323600000000 ] - [ -0.0001909600000000, 0.0000001400000000, 0.0003446900000000 ] - [ -0.0032545200000000, 0.0017834300000000, 0.0008323600000000 ] - [ -0.0001909600000000, 0.0000001400000000, -0.0003446900000000 ] - [ -0.0080946500000000, 0.0068424100000000, -0.0084851600000000 ] - [ -0.0020431500000000, 0.0003076800000000, 0.0023953400000000 ] - [ 0.0007446600000000, 0.0004340600000000, 0.0032299300000000 ] - [ -0.0006355400000000, -0.0001473500000000, 0.0012800400000000 ] - [ 0.0338187100000000, -0.0827042000000000, -0.0340370300000000 ] - [ -0.0014284800000000, 0.0003480500000000, -0.0021584300000000 ] - [ -0.0015791900000000, -0.0015397700000000, -0.0024839300000000 ] - [ -0.0004508800000000, 0.0001205800000000, -0.0014912100000000 ] - [ -0.0080946500000000, 0.0068424100000000, 0.0084851600000000 ] - [ -0.0020431500000000, 0.0003076800000000, -0.0023953400000000 ] - [ 0.0007446600000000, 0.0004340600000000, -0.0032299300000000 ] - [ -0.0006355400000000, -0.0001473500000000, -0.0012800400000000 ] - [ 0.0338187100000000, -0.0827042000000000, 0.0340370300000000 ] - [ -0.0014284800000000, 0.0003480500000000, 0.0021584300000000 ] - [ -0.0015791900000000, -0.0015397700000000, 0.0024839300000000 ] - [ -0.0004508800000000, 0.0001205800000000, 0.0014912100000000 ] - [ 0.0575805900000000, -0.1527960600000000, 0.0000000000000000 ] - [ -0.0018023200000000, -0.0036642800000000, 0.0000000000000000 ] - [ 0.0027354100000000, -0.0040220200000000, 0.0000000000000000 ] - [ 0.0002940300000000, -0.0031151400000000, 0.0000000000000000 ] - [ 0.0000510400000000, 0.0043240900000000, -0.0001954400000000 ] - [ 0.0017756400000000, 0.0002760700000000, -0.0011886400000000 ] - [ 0.0000510400000000, 0.0043240900000000, 0.0001954400000000 ] - [ 0.0017756400000000, 0.0002760700000000, 0.0011886400000000 ] - [ 0.0156594000000000, 0.0388282000000000, 0.0000000000000000 ] - [ -0.0051264800000000, 0.0037641400000000, 0.0000000000000000 ] - [ -0.0012503600000000, 0.0039014400000000, 0.0000000000000000 ] - [ -0.0018043700000000, 0.0030718000000000, 0.0000000000000000 ] - [ 0.0098602900000000, -0.0013843100000000, 0.0094680700000000 ] - [ -0.0021993400000000, -0.0035702400000000, -0.0001802400000000 ] - [ 0.0098602900000000, -0.0013843100000000, -0.0094680700000000 ] - [ -0.0021993400000000, -0.0035702400000000, 0.0001802400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0231596100000000, -0.0223802000000000, 0.0125671100000000 ] - [ 0.0012671300000000, -0.0003230500000000, -0.0023241900000000 ] - [ 0.0035632100000000, -0.0011572500000000, 0.0035040000000000 ] - [ 0.0035514700000000, -0.0006705800000000, 0.0020113400000000 ] - [ -0.0159188500000000, 0.0004871100000000, 0.0240617100000000 ] - [ 0.0042797100000000, 0.0009621300000000, -0.0015421900000000 ] - [ 0.0015571600000000, 0.0003550600000000, 0.0059478000000000 ] - [ 0.0008372100000000, 0.0000064500000000, 0.0020542200000000 ] - [ -0.0017057300000000, -0.0002370000000000, -0.0030788600000000 ] - [ 0.0038332300000000, -0.0023978700000000, -0.0053388100000000 ] - [ -0.0030601900000000, 0.0007852700000000, 0.0023063400000000 ] - [ -0.0042973400000000, 0.0009975200000000, 0.0034965300000000 ] - [ 0.0018642300000000, 0.0127243400000000, 0.0205093800000000 ] - [ -0.0034210900000000, -0.0004624200000000, -0.0012828500000000 ] - [ -0.0009246900000000, 0.0012404500000000, 0.0069004400000000 ] - [ -0.0010518700000000, -0.0004214200000000, 0.0017968700000000 ] - [ -0.0033119900000000, 0.0010466200000000, -0.0028676900000000 ] - [ -0.0088283200000000, 0.0032081400000000, -0.0051145200000000 ] - [ -0.0019338000000000, 0.0000303700000000, 0.0025315000000000 ] - [ -0.0006958900000000, -0.0001837700000000, 0.0037280700000000 ] - [ -0.0068959800000000, -0.0139064500000000, 0.0205605900000000 ] - [ -0.0015625100000000, -0.0003511600000000, -0.0015170600000000 ] - [ -0.0040791500000000, -0.0020601200000000, 0.0066665800000000 ] - [ -0.0039343200000000, -0.0003941200000000, 0.0015670700000000 ] - [ -0.0182726500000000, 0.0216772700000000, 0.0127369100000000 ] - [ 0.0037306900000000, -0.0004880900000000, -0.0021051400000000 ] - [ 0.0014243700000000, 0.0003443700000000, 0.0037363400000000 ] - [ 0.0014487700000000, -0.0001453000000000, 0.0022334100000000 ] - [ 0.0213130200000000, 0.0002382600000000, 0.0241527500000000 ] - [ 0.0007213700000000, -0.0001419000000000, -0.0017706200000000 ] - [ 0.0034294400000000, 0.0004604800000000, 0.0056937600000000 ] - [ 0.0041617300000000, 0.0008133500000000, 0.0018342500000000 ] - [ -0.0077992000000000, 0.0108664400000000, -0.3232457000000000 ] - [ -0.0047539500000000, 0.0059578000000000, -0.0019720400000000 ] - [ -0.0047602400000000, 0.0059605800000000, 0.0047746300000000 ] - [ -0.0047544800000000, 0.0059572300000000, 0.0019605700000000 ] - [ -0.0066963600000000, -0.0085409800000000, 0.0014114100000000 ] - [ -0.0031072700000000, -0.0051668500000000, 0.0014251700000000 ] - [ -0.0028062800000000, -0.0033581200000000, 0.0014190700000000 ] - [ -0.0063986900000000, -0.0067530300000000, 0.0014050900000000 ] - [ 0.0086173200000000, 0.0083999500000000, 0.0050857100000000 ] - [ 0.0041153700000000, 0.0058964500000000, 0.0000303000000000 ] - [ 0.0008750900000000, 0.0034780400000000, 0.0050769600000000 ] - [ 0.0054015600000000, 0.0060231700000000, 0.0000239100000000 ] - [ 0.0047689100000000, -0.0060186200000000, -0.0137950600000000 ] - [ 0.0047604500000000, -0.0059603400000000, -0.0032746500000000 ] - [ 0.0047554200000000, -0.0059600100000000, 0.0040798400000000 ] - [ 0.0047582500000000, -0.0059584400000000, 0.0022646200000000 ] - [ -0.0001104700000000, -0.0001762900000000, -0.0082431800000000 ] - [ 0.0000064000000000, 0.0000026800000000, -0.0017852500000000 ] - [ -0.0000034800000000, -0.0000017000000000, 0.0011628100000000 ] - [ 0.0000039200000000, 0.0000019100000000, 0.0010135100000000 ] - [ 0.0043819000000000, -0.0021160000000000, 0.0015230300000000 ] - [ -0.0069904000000000, 0.0033985600000000, 0.0021363300000000 ] - [ -0.0043973200000000, 0.0021253100000000, 0.0015220900000000 ] - [ 0.0070404700000000, -0.0034264900000000, 0.0021522500000000 ] - [ -0.0075072100000000, -0.0001203000000000, -0.0005904300000000 ] - [ 0.0017126300000000, 0.0013170100000000, 0.0044053800000000 ] - [ 0.0012263800000000, 0.0016956300000000, -0.0046501600000000 ] - [ -0.0010197200000000, -0.0008247500000000, -0.0017274800000000 ] - [ -0.0221393300000000, 0.0318732000000000, 0.0971197500000000 ] - [ -0.0005878700000000, -0.0000848100000000, 0.0022784900000000 ] - [ -0.0006144000000000, -0.0003956100000000, -0.0103990700000000 ] - [ 0.0001919700000000, -0.0000015300000000, -0.0052713500000000 ] - [ 0.0073945000000000, 0.0002092800000000, -0.0037032400000000 ] - [ -0.0017094100000000, -0.0013380600000000, 0.0012409600000000 ] - [ -0.0012206100000000, -0.0016964100000000, -0.0078638700000000 ] - [ 0.0010110500000000, 0.0008201300000000, -0.0049190100000000 ] - [ 0.0246132400000000, -0.0355957900000000, 0.1040580200000000 ] - [ 0.0005733400000000, 0.0000816600000000, 0.0054805000000000 ] - [ 0.0006297900000000, 0.0004026500000000, -0.0071952200000000 ] - [ -0.0002001800000000, -0.0000007700000000, -0.0020755500000000 ] - [ 0.0015103400000000, -0.0037906200000000, 0.0586103100000000 ] - [ 0.0011348100000000, -0.0031307100000000, 0.0036552000000000 ] - [ 0.0011492100000000, -0.0031318500000000, -0.0054039000000000 ] - [ 0.0011367000000000, -0.0031285500000000, -0.0030925300000000 ] - [ 0.0077301800000000, 0.0083452800000000, -0.0122036000000000 ] - [ -0.0037052600000000, 0.0039045300000000, -0.0004731600000000 ] - [ -0.0054479700000000, -0.0020740800000000, -0.0122156600000000 ] - [ 0.0059850300000000, 0.0023373400000000, -0.0004621500000000 ] - [ -0.0010191100000000, 0.0031530600000000, 0.0036793100000000 ] - [ -0.0011548600000000, 0.0031322400000000, 0.0117291900000000 ] - [ -0.0011402400000000, 0.0031320400000000, -0.0040108000000000 ] - [ -0.0011459600000000, 0.0031286300000000, -0.0046387900000000 ] - [ -0.0118714600000000, -0.0008249200000000, -0.0157509500000000 ] - [ 0.0029434600000000, -0.0059996100000000, 0.0001828800000000 ] - [ 0.0096329500000000, -0.0054332000000000, -0.0157881000000000 ] - [ -0.0052468700000000, -0.0002488400000000, 0.0001885700000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0395323400000000, 0.0059448000000000, 0.0253040000000000 ] - [ 0.0098787100000000, -0.0049765800000000, 0.0018782100000000 ] - [ 0.0007062800000000, 0.0002118300000000, -0.0021582300000000 ] - [ 0.0043324600000000, -0.0014420600000000, 0.0023168100000000 ] - [ -0.0019044800000000, -0.0002198900000000, 0.0003533200000000 ] - [ 0.0064758500000000, 0.0022204700000000, -0.0010992400000000 ] - [ -0.0001805700000000, -0.0009520000000000, 0.0022037600000000 ] - [ 0.0052769100000000, 0.0020508600000000, -0.0019554700000000 ] - [ 0.0349790300000000, 0.0071102800000000, -0.0259712100000000 ] - [ 0.0048681700000000, -0.0041448800000000, -0.0021012600000000 ] - [ -0.0042940800000000, 0.0010294200000000, 0.0019368900000000 ] - [ -0.0006623400000000, -0.0006239800000000, -0.0025407100000000 ] - [ -0.0068757500000000, -0.0010255900000000, -0.0000801500000000 ] - [ 0.0014780100000000, 0.0014056600000000, 0.0013212900000000 ] - [ -0.0051726500000000, -0.0017674800000000, -0.0019887700000000 ] - [ 0.0002807500000000, 0.0012365800000000, 0.0021818000000000 ] - [ 0.0349790300000000, 0.0071102800000000, 0.0259712100000000 ] - [ 0.0048681700000000, -0.0041448800000000, 0.0021012600000000 ] - [ -0.0042940800000000, 0.0010294200000000, -0.0019368900000000 ] - [ -0.0006623400000000, -0.0006239800000000, 0.0025407100000000 ] - [ -0.0068757500000000, -0.0010255900000000, 0.0000801500000000 ] - [ 0.0014780100000000, 0.0014056600000000, -0.0013212900000000 ] - [ -0.0051726500000000, -0.0017674800000000, 0.0019887700000000 ] - [ 0.0002807500000000, 0.0012365800000000, -0.0021818000000000 ] - [ 0.0395323400000000, 0.0059448000000000, -0.0253040000000000 ] - [ 0.0098787100000000, -0.0049765800000000, -0.0018782100000000 ] - [ 0.0007062800000000, 0.0002118300000000, 0.0021582300000000 ] - [ 0.0043324600000000, -0.0014420600000000, -0.0023168100000000 ] - [ -0.0019044800000000, -0.0002198900000000, -0.0003533200000000 ] - [ 0.0064758500000000, 0.0022204700000000, 0.0010992400000000 ] - [ -0.0001805700000000, -0.0009520000000000, -0.0022037600000000 ] - [ 0.0052769100000000, 0.0020508600000000, 0.0019554700000000 ] - [ -0.0140219200000000, 0.0347890600000000, 0.0000000000000000 ] - [ -0.0008321100000000, 0.0033193000000000, 0.0000000000000000 ] - [ -0.0063308600000000, 0.0065278200000000, 0.0000000000000000 ] - [ -0.0030160400000000, 0.0052608500000000, 0.0000000000000000 ] - [ -0.0049509000000000, -0.0092450700000000, -0.0043937800000000 ] - [ -0.0010680800000000, -0.0061141300000000, 0.0069938600000000 ] - [ -0.0049509000000000, -0.0092450700000000, 0.0043937800000000 ] - [ -0.0010680800000000, -0.0061141300000000, -0.0069938600000000 ] - [ 0.0045740500000000, 0.0026866700000000, 0.0043846700000000 ] - [ 0.0084604400000000, 0.0057991100000000, -0.0070362800000000 ] - [ 0.0045740500000000, 0.0026866700000000, -0.0043846700000000 ] - [ 0.0084604400000000, 0.0057991100000000, 0.0070362800000000 ] - [ -0.0046476700000000, 0.0227366400000000, 0.0000000000000000 ] - [ 0.0086811300000000, -0.0085943800000000, 0.0000000000000000 ] - [ 0.0031791400000000, -0.0053840300000000, 0.0000000000000000 ] - [ 0.0064964100000000, -0.0066555800000000, 0.0000000000000000 ] - [ -0.3592471200000000, -0.2497793200000000, 0.0000000000000000 ] - [ 0.0093903700000000, 0.0047726100000000, 0.0000000000000000 ] - [ -0.0035731500000000, -0.0017259900000000, 0.0000000000000000 ] - [ 0.0037813900000000, 0.0018096500000000, 0.0000000000000000 ] - [ 0.0000263000000000, 0.0003305400000000, 0.0003850900000000 ] - [ 0.0000098300000000, 0.0003407200000000, -0.0003832200000000 ] - [ 0.0000263000000000, 0.0003305400000000, -0.0003850900000000 ] - [ 0.0000098300000000, 0.0003407200000000, 0.0003832200000000 ] - [ -0.0177338100000000, 0.0197011700000000, -0.0153163000000000 ] - [ -0.0177463800000000, 0.0197465300000000, 0.0185489400000000 ] - [ 0.0009318600000000, 0.0009752000000000, 0.0072888900000000 ] - [ 0.0009380800000000, 0.0009828400000000, -0.0040953200000000 ] - [ 0.0175286400000000, -0.0094386100000000, -0.0016616900000000 ] - [ -0.0068887100000000, -0.0000769600000000, -0.0015968100000000 ] - [ 0.0038357100000000, 0.0010097500000000, -0.0015944100000000 ] - [ -0.0039194300000000, -0.0008690600000000, -0.0015988600000000 ] - [ -0.0177338100000000, 0.0197011700000000, 0.0153163000000000 ] - [ -0.0177463800000000, 0.0197465300000000, -0.0185489400000000 ] - [ 0.0009318600000000, 0.0009752000000000, -0.0072888900000000 ] - [ 0.0009380800000000, 0.0009828400000000, 0.0040953200000000 ] - [ 0.0175286400000000, -0.0094386100000000, 0.0016616900000000 ] - [ -0.0068887100000000, -0.0000769600000000, 0.0015968100000000 ] - [ 0.0038357100000000, 0.0010097500000000, 0.0015944100000000 ] - [ -0.0039194300000000, -0.0008690600000000, 0.0015988600000000 ] - [ 0.1207261200000000, 0.0607196100000000, 0.0000000000000000 ] - [ -0.0118338600000000, -0.0030706700000000, 0.0000000000000000 ] - [ 0.0055005900000000, -0.0031708800000000, 0.0000000000000000 ] - [ -0.0035740200000000, -0.0032323800000000, 0.0000000000000000 ] - [ 0.0049012500000000, 0.0062616300000000, 0.0017864300000000 ] - [ -0.0040630400000000, -0.0014032900000000, -0.0014267700000000 ] - [ 0.0049012500000000, 0.0062616300000000, -0.0017864300000000 ] - [ -0.0040630400000000, -0.0014032900000000, 0.0014267700000000 ] - [ 0.1264841900000000, 0.0742511100000000, 0.0000000000000000 ] - [ -0.0141119200000000, 0.0031845300000000, 0.0000000000000000 ] - [ 0.0032245800000000, 0.0030815000000000, 0.0000000000000000 ] - [ -0.0058578000000000, 0.0030259500000000, 0.0000000000000000 ] - [ 0.0025783200000000, -0.0000029800000000, -0.0018268500000000 ] - [ -0.0063415000000000, -0.0076741800000000, 0.0014346800000000 ] - [ 0.0025783200000000, -0.0000029800000000, 0.0018268500000000 ] - [ -0.0063415000000000, -0.0076741800000000, -0.0014346800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0235354200000000, -0.0040256200000000, 0.0133854900000000 ] - [ 0.0063924200000000, -0.0032890700000000, 0.0008484000000000 ] - [ 0.0016304700000000, -0.0001141100000000, -0.0011059800000000 ] - [ 0.0033819700000000, -0.0009056500000000, 0.0010535200000000 ] - [ -0.0000246100000000, 0.0027305600000000, -0.0000135000000000 ] - [ 0.0044126900000000, 0.0012766200000000, -0.0004370300000000 ] - [ 0.0012882200000000, -0.0003354500000000, 0.0009843200000000 ] - [ 0.0037925300000000, 0.0012121100000000, -0.0008630900000000 ] - [ 0.0185606000000000, -0.0033405400000000, -0.0136174100000000 ] - [ 0.0013934800000000, -0.0024724500000000, -0.0010716500000000 ] - [ -0.0033600900000000, 0.0006989400000000, 0.0008789600000000 ] - [ -0.0016142300000000, -0.0000921400000000, -0.0012796500000000 ] - [ -0.0050521300000000, 0.0019024500000000, 0.0001761700000000 ] - [ -0.0005819200000000, 0.0004594700000000, 0.0006637900000000 ] - [ -0.0037083700000000, -0.0011512100000000, -0.0007487000000000 ] - [ -0.0012004400000000, 0.0003950500000000, 0.0010867400000000 ] - [ 0.0185606000000000, -0.0033405400000000, 0.0136174100000000 ] - [ 0.0013934800000000, -0.0024724500000000, 0.0010716500000000 ] - [ -0.0033600900000000, 0.0006989400000000, -0.0008789600000000 ] - [ -0.0016142300000000, -0.0000921400000000, 0.0012796500000000 ] - [ -0.0050521300000000, 0.0019024500000000, -0.0001761700000000 ] - [ -0.0005819200000000, 0.0004594700000000, -0.0006637900000000 ] - [ -0.0037083700000000, -0.0011512100000000, 0.0007487000000000 ] - [ -0.0012004400000000, 0.0003950500000000, -0.0010867400000000 ] - [ 0.0235354200000000, -0.0040256200000000, -0.0133854900000000 ] - [ 0.0063924200000000, -0.0032890700000000, -0.0008484000000000 ] - [ 0.0016304700000000, -0.0001141100000000, 0.0011059800000000 ] - [ 0.0033819700000000, -0.0009056500000000, -0.0010535200000000 ] - [ -0.0000246100000000, 0.0027305600000000, 0.0000135000000000 ] - [ 0.0044126900000000, 0.0012766200000000, 0.0004370300000000 ] - [ 0.0012882200000000, -0.0003354500000000, -0.0009843200000000 ] - [ 0.0037925300000000, 0.0012121100000000, 0.0008630900000000 ] - [ -0.0033139200000000, 0.0574059200000000, 0.0000000000000000 ] - [ -0.0027066900000000, 0.0045006800000000, 0.0000000000000000 ] - [ -0.0054734300000000, 0.0062398200000000, 0.0000000000000000 ] - [ -0.0039284900000000, 0.0056141200000000, 0.0000000000000000 ] - [ -0.0048060100000000, -0.0077458300000000, -0.0021190300000000 ] - [ -0.0031426700000000, -0.0059455800000000, 0.0034181000000000 ] - [ -0.0048060100000000, -0.0077458300000000, 0.0021190300000000 ] - [ -0.0031426700000000, -0.0059455800000000, -0.0034181000000000 ] - [ 0.0046972700000000, 0.0041546200000000, 0.0021216200000000 ] - [ 0.0063667200000000, 0.0059788200000000, -0.0034060800000000 ] - [ 0.0046972700000000, 0.0041546200000000, -0.0021216200000000 ] - [ 0.0063667200000000, 0.0059788200000000, 0.0034060800000000 ] - [ 0.0065378900000000, 0.0464298000000000, 0.0000000000000000 ] - [ 0.0068061500000000, -0.0074155400000000, 0.0000000000000000 ] - [ 0.0040415300000000, -0.0056796000000000, 0.0000000000000000 ] - [ 0.0055844100000000, -0.0063021300000000, 0.0000000000000000 ] - [ -0.2497144400000000, -0.2322623400000000, 0.0000000000000000 ] - [ 0.0047726200000000, 0.0024172000000000, 0.0000000000000000 ] - [ -0.0017260200000000, -0.0008734300000000, 0.0000000000000000 ] - [ 0.0018096500000000, 0.0008657100000000, 0.0000000000000000 ] - [ -0.0003442700000000, 0.0002753500000000, 0.0000830300000000 ] - [ -0.0003269700000000, 0.0002659200000000, -0.0000863500000000 ] - [ -0.0003442700000000, 0.0002753500000000, -0.0000830300000000 ] - [ -0.0003269700000000, 0.0002659200000000, 0.0000863500000000 ] - [ -0.0072450200000000, 0.0101607900000000, -0.0070368700000000 ] - [ -0.0071812100000000, 0.0100871400000000, 0.0101841100000000 ] - [ 0.0004488500000000, 0.0005003800000000, 0.0043496400000000 ] - [ 0.0004386500000000, 0.0004959400000000, -0.0011480000000000 ] - [ 0.0181744900000000, -0.0186176000000000, -0.0014905000000000 ] - [ -0.0034421100000000, 0.0001375700000000, -0.0015978900000000 ] - [ 0.0017052100000000, 0.0003471600000000, -0.0016014100000000 ] - [ -0.0018513700000000, -0.0003740400000000, -0.0015981300000000 ] - [ -0.0072450200000000, 0.0101607900000000, 0.0070368700000000 ] - [ -0.0071812100000000, 0.0100871400000000, -0.0101841100000000 ] - [ 0.0004488500000000, 0.0005003800000000, -0.0043496400000000 ] - [ 0.0004386500000000, 0.0004959400000000, 0.0011480000000000 ] - [ 0.0181744900000000, -0.0186176000000000, 0.0014905000000000 ] - [ -0.0034421100000000, 0.0001375700000000, 0.0015978900000000 ] - [ 0.0017052100000000, 0.0003471600000000, 0.0016014100000000 ] - [ -0.0018513700000000, -0.0003740400000000, 0.0015981300000000 ] - [ 0.0726699500000000, 0.0679554900000000, 0.0000000000000000 ] - [ -0.0055195500000000, -0.0031107200000000, 0.0000000000000000 ] - [ 0.0032331200000000, -0.0031276800000000, 0.0000000000000000 ] - [ -0.0011200000000000, -0.0031798700000000, 0.0000000000000000 ] - [ 0.0029689100000000, 0.0051465600000000, 0.0003793000000000 ] - [ -0.0011911000000000, 0.0007657600000000, -0.0007102200000000 ] - [ 0.0029689100000000, 0.0051465600000000, -0.0003793000000000 ] - [ -0.0011911000000000, 0.0007657600000000, 0.0007102200000000 ] - [ 0.0756010200000000, 0.0771574100000000, 0.0000000000000000 ] - [ -0.0078033800000000, 0.0031503400000000, 0.0000000000000000 ] - [ 0.0009440900000000, 0.0031363600000000, 0.0000000000000000 ] - [ -0.0034046900000000, 0.0030776900000000, 0.0000000000000000 ] - [ 0.0007202900000000, -0.0011031200000000, -0.0003477400000000 ] - [ -0.0034806000000000, -0.0054784600000000, 0.0007044800000000 ] - [ 0.0007202900000000, -0.0011031200000000, 0.0003477400000000 ] - [ -0.0034806000000000, -0.0054784600000000, -0.0007044800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0246012300000000, 0.0038823300000000, 0.0058704900000000 ] - [ -0.0001946300000000, 0.0018671200000000, -0.0025575600000000 ] - [ 0.0030538900000000, -0.0006819400000000, 0.0014226400000000 ] - [ 0.0031744500000000, -0.0008186200000000, 0.0014949400000000 ] - [ 0.0026774300000000, 0.0018531500000000, -0.0004514300000000 ] - [ 0.0031546700000000, 0.0008281100000000, -0.0005120200000000 ] - [ 0.0020101000000000, 0.0001052000000000, 0.0012238700000000 ] - [ 0.0019681500000000, 0.0000767500000000, 0.0009829600000000 ] - [ -0.0246012300000000, -0.0038823300000000, 0.0058704900000000 ] - [ 0.0001946300000000, -0.0018671200000000, -0.0025575600000000 ] - [ -0.0030538900000000, 0.0006819400000000, 0.0014226400000000 ] - [ -0.0031744500000000, 0.0008186200000000, 0.0014949400000000 ] - [ -0.0026774300000000, -0.0018531500000000, -0.0004514300000000 ] - [ -0.0031546700000000, -0.0008281100000000, -0.0005120200000000 ] - [ -0.0020101000000000, -0.0001052000000000, 0.0012238700000000 ] - [ -0.0019681500000000, -0.0000767500000000, 0.0009829600000000 ] - [ 0.0197959900000000, 0.0047993700000000, 0.0061663700000000 ] - [ -0.0051899800000000, 0.0026833800000000, -0.0023339900000000 ] - [ -0.0019389400000000, 0.0001319300000000, 0.0016466100000000 ] - [ -0.0018199400000000, -0.0000052700000000, 0.0017187500000000 ] - [ -0.0023164400000000, 0.0010608200000000, -0.0006805900000000 ] - [ -0.0018390800000000, 0.0000141700000000, -0.0007357300000000 ] - [ -0.0029839600000000, -0.0007090500000000, 0.0009997300000000 ] - [ -0.0030256100000000, -0.0007378700000000, 0.0007595700000000 ] - [ -0.0197959900000000, -0.0047993700000000, 0.0061663700000000 ] - [ 0.0051899800000000, -0.0026833800000000, -0.0023339900000000 ] - [ 0.0019389400000000, -0.0001319300000000, 0.0016466100000000 ] - [ 0.0018199400000000, 0.0000052700000000, 0.0017187500000000 ] - [ 0.0023164400000000, -0.0010608200000000, -0.0006805900000000 ] - [ 0.0018390800000000, -0.0000141700000000, -0.0007357300000000 ] - [ 0.0029839600000000, 0.0007090500000000, 0.0009997300000000 ] - [ 0.0030256100000000, 0.0007378700000000, 0.0007595700000000 ] - [ -0.0047323900000000, 0.0059783700000000, -0.0082447900000000 ] - [ -0.0047560800000000, 0.0059576200000000, -0.0017863400000000 ] - [ -0.0047561700000000, 0.0059575800000000, 0.0011617000000000 ] - [ -0.0047560000000000, 0.0059576000000000, 0.0010124200000000 ] - [ -0.0051259600000000, -0.0051201300000000, 0.0015218000000000 ] - [ -0.0039270100000000, -0.0062972200000000, 0.0021444600000000 ] - [ -0.0043857300000000, -0.0067938100000000, 0.0015209900000000 ] - [ -0.0055843200000000, -0.0056199100000000, 0.0021418400000000 ] - [ 0.0051259600000000, 0.0051201300000000, 0.0015218000000000 ] - [ 0.0039270100000000, 0.0062972200000000, 0.0021444600000000 ] - [ 0.0043857300000000, 0.0067938100000000, 0.0015209900000000 ] - [ 0.0055843200000000, 0.0056199100000000, 0.0021418400000000 ] - [ 0.0047323900000000, -0.0059783700000000, -0.0082447900000000 ] - [ 0.0047560800000000, -0.0059576200000000, -0.0017863400000000 ] - [ 0.0047561700000000, -0.0059575800000000, 0.0011617000000000 ] - [ 0.0047560000000000, -0.0059576000000000, 0.0010124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0467446800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012698800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006150200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005355700000000 ] - [ 0.0003828700000000, -0.0000840400000000, 0.0002338300000000 ] - [ -0.0003828700000000, 0.0000840400000000, 0.0002338300000000 ] - [ -0.0003856500000000, 0.0000854800000000, 0.0002339700000000 ] - [ 0.0003856500000000, -0.0000854800000000, 0.0002339700000000 ] - [ -0.0063428300000000, 0.0077595400000000, -0.0037284100000000 ] - [ 0.0063428300000000, -0.0077595400000000, -0.0037284100000000 ] - [ -0.0000614800000000, -0.0001918200000000, -0.0010007100000000 ] - [ 0.0000614800000000, 0.0001918200000000, -0.0010007100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029966100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007065800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037453900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033116600000000 ] - [ 0.0063325900000000, -0.0077417700000000, -0.0069179700000000 ] - [ -0.0063325900000000, 0.0077417700000000, -0.0069179700000000 ] - [ 0.0000660200000000, 0.0001932300000000, -0.0041988800000000 ] - [ -0.0000660200000000, -0.0001932300000000, -0.0041988800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0062769100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005474300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001149800000000 ] - [ 0.0014532900000000, -0.0028420900000000, 0.0234002200000000 ] - [ 0.0011418600000000, -0.0031286000000000, 0.0061964900000000 ] - [ 0.0011417900000000, -0.0031289000000000, -0.0021983000000000 ] - [ 0.0011418900000000, -0.0031283200000000, -0.0021326500000000 ] - [ 0.0009797200000000, 0.0024534000000000, -0.0013774300000000 ] - [ -0.0002353100000000, 0.0022184200000000, -0.0006316000000000 ] - [ 0.0012967000000000, 0.0038032100000000, -0.0013836300000000 ] - [ 0.0025190200000000, 0.0040353100000000, -0.0006316700000000 ] - [ -0.0014532900000000, 0.0028420900000000, 0.0234002200000000 ] - [ -0.0011418600000000, 0.0031286000000000, 0.0061964900000000 ] - [ -0.0011417900000000, 0.0031289000000000, -0.0021983000000000 ] - [ -0.0011418900000000, 0.0031283200000000, -0.0021326500000000 ] - [ -0.0009797200000000, -0.0024534000000000, -0.0013774300000000 ] - [ 0.0002353100000000, -0.0022184200000000, -0.0006316000000000 ] - [ -0.0012967000000000, -0.0038032100000000, -0.0013836300000000 ] - [ -0.0025190200000000, -0.0040353100000000, -0.0006316700000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1873839800000000, -0.1114725300000000, 0.1112295400000000 ] - [ -0.0046588100000000, 0.0014070800000000, -0.0033599200000000 ] - [ 0.0036159100000000, -0.0012085100000000, 0.0007760200000000 ] - [ 0.0015356100000000, 0.0001027300000000, -0.0007477300000000 ] - [ -0.0042774600000000, -0.0000234700000000, 0.0045084200000000 ] - [ 0.0014659100000000, -0.0045032800000000, -0.0014079500000000 ] - [ 0.0017437300000000, 0.0002631400000000, -0.0002527000000000 ] - [ 0.0031242400000000, 0.0005620300000000, 0.0004810200000000 ] - [ -0.0096646900000000, 0.0022223300000000, 0.0031300500000000 ] - [ 0.1768342800000000, -0.1046812600000000, -0.1059007000000000 ] - [ -0.0034562000000000, 0.0009180900000000, 0.0005170400000000 ] - [ -0.0013780700000000, -0.0003942300000000, -0.0010161400000000 ] - [ -0.0035018900000000, -0.0053728700000000, 0.0016808100000000 ] - [ -0.0092655100000000, -0.0008506300000000, -0.0042753000000000 ] - [ -0.0018727800000000, -0.0002560300000000, -0.0002597100000000 ] - [ -0.0032564300000000, -0.0005562900000000, 0.0004737200000000 ] - [ -0.0092364600000000, 0.0019632300000000, -0.0042913100000000 ] - [ 0.0087937200000000, -0.0070082200000000, 0.0277826200000000 ] - [ -0.0041149200000000, 0.0009173400000000, -0.0001396300000000 ] - [ 0.0035830700000000, 0.0030729400000000, 0.0021909700000000 ] - [ 0.0001605500000000, 0.0010849600000000, -0.0044323900000000 ] - [ -0.0059581400000000, -0.0011629000000000, 0.0045577800000000 ] - [ -0.0045958400000000, -0.0029045000000000, 0.0042976000000000 ] - [ -0.0044967900000000, -0.0007744600000000, -0.0013899200000000 ] - [ 0.0137758800000000, -0.0078241200000000, -0.0275429700000000 ] - [ -0.0042303300000000, 0.0011456700000000, 0.0045078700000000 ] - [ 0.0086182400000000, 0.0022403200000000, -0.0019947500000000 ] - [ 0.0008756800000000, 0.0001034600000000, 0.0003767500000000 ] - [ -0.0009573600000000, -0.0003426500000000, -0.0047839200000000 ] - [ 0.0051538900000000, 0.0019033200000000, 0.0042011100000000 ] - [ 0.0005233500000000, 0.0000586500000000, 0.0011819500000000 ] - [ 0.0003209000000000, -0.0021454300000000, -0.0045652500000000 ] - [ -0.0132102700000000, 0.0140744000000000, -0.0074278400000000 ] - [ -0.0083027800000000, 0.0080120300000000, 0.0017064600000000 ] - [ -0.0047232900000000, 0.0052063700000000, 0.0012179200000000 ] - [ -0.0054281100000000, 0.0066029000000000, -0.0010171500000000 ] - [ -0.0080380300000000, -0.0073964700000000, 0.0005868500000000 ] - [ 0.0493102700000000, 0.0267889000000000, 0.0229932600000000 ] - [ -0.0065865500000000, -0.0064142300000000, -0.0001992900000000 ] - [ -0.0006491800000000, -0.0075315000000000, 0.0006197100000000 ] - [ 0.0590145500000000, 0.0393448400000000, -0.0237258100000000 ] - [ 0.0014763200000000, 0.0045186100000000, -0.0005743500000000 ] - [ 0.0088646000000000, 0.0043891400000000, -0.0006244300000000 ] - [ 0.0029252100000000, 0.0055002100000000, 0.0001924700000000 ] - [ 0.0012186900000000, -0.0039320300000000, -0.0017155500000000 ] - [ -0.0037678300000000, 0.0021996200000000, 0.0074743900000000 ] - [ 0.0040911900000000, -0.0053158500000000, 0.0010131700000000 ] - [ 0.0047810600000000, -0.0067076200000000, -0.0012289100000000 ] - [ -0.0177526700000000, -0.0072277700000000, -0.0063629000000000 ] - [ -0.0177275900000000, -0.0071998100000000, 0.0063126500000000 ] - [ 0.0009414900000000, 0.0004471600000000, -0.0000651200000000 ] - [ 0.0009279900000000, 0.0004403700000000, 0.0000624100000000 ] - [ 0.0175297400000000, -0.0181741400000000, 0.0000093600000000 ] - [ -0.0068881900000000, 0.0034417400000000, 0.0000041700000000 ] - [ 0.0038360700000000, -0.0017047200000000, -0.0000010500000000 ] - [ -0.0039183300000000, 0.0018509900000000, -0.0000008400000000 ] - [ -0.5052224300000000, 0.1796740000000000, -0.0037139300000000 ] - [ 0.0103584500000000, -0.0033878500000000, 0.0015897100000000 ] - [ -0.0021506000000000, -0.0000317200000000, 0.0016086600000000 ] - [ 0.0017612800000000, 0.0001137300000000, 0.0016037000000000 ] - [ 0.0099040500000000, -0.0035490000000000, -0.0022448200000000 ] - [ 0.0099096700000000, -0.0035663600000000, -0.0009088100000000 ] - [ -0.0000080200000000, -0.0000746800000000, -0.0021465700000000 ] - [ -0.0000043800000000, -0.0000772900000000, -0.0010390300000000 ] - [ -0.0311499900000000, 0.0213707100000000, -0.0015823100000000 ] - [ 0.0077031000000000, -0.0042928700000000, -0.0015872600000000 ] - [ -0.0368750200000000, -0.0339261800000000, -0.0014318900000000 ] - [ 0.0037059700000000, 0.0007804600000000, -0.0016100300000000 ] - [ 0.0018253900000000, -0.0036862100000000, 0.0120765000000000 ] - [ 0.0018189500000000, -0.0036934600000000, -0.0088820800000000 ] - [ 0.0018111200000000, 0.0015122900000000, -0.0025858300000000 ] - [ 0.0018332500000000, 0.0015220400000000, 0.0057863100000000 ] - [ 0.0401977800000000, -0.0175435500000000, 0.0516637100000000 ] - [ 0.0169650200000000, 0.0023767300000000, -0.0010191500000000 ] - [ 0.0009728900000000, -0.0010272300000000, -0.0017214900000000 ] - [ 0.0025424600000000, -0.0044744300000000, 0.0007049100000000 ] - [ 0.0105045500000000, 0.0025768800000000, -0.0054143000000000 ] - [ -0.0019178600000000, 0.0284166700000000, 0.0090722600000000 ] - [ 0.0058544300000000, 0.0032319100000000, 0.0028739200000000 ] - [ -0.0037542600000000, 0.0030847500000000, -0.0027549100000000 ] - [ 0.0147309800000000, 0.0086790400000000, 0.0010296600000000 ] - [ 0.0378188800000000, -0.0109928900000000, -0.0512283700000000 ] - [ 0.0002449700000000, 0.0017848400000000, -0.0007087100000000 ] - [ -0.0012986300000000, 0.0052396500000000, 0.0017376800000000 ] - [ -0.0043534100000000, 0.0221317400000000, -0.0092234500000000 ] - [ 0.0082214200000000, -0.0036756100000000, 0.0053744900000000 ] - [ -0.0060365700000000, -0.0031718400000000, 0.0027632100000000 ] - [ 0.0035749500000000, -0.0030213500000000, -0.0028643600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1069465300000000, 0.1110742000000000, -0.0792450000000000 ] - [ 0.0055324800000000, -0.0007215900000000, 0.0019962500000000 ] - [ 0.0026049800000000, -0.0009087900000000, -0.0000179500000000 ] - [ 0.0024366900000000, -0.0002533100000000, -0.0002769700000000 ] - [ 0.0017659000000000, -0.0022601300000000, -0.0016437800000000 ] - [ -0.0058486400000000, -0.0096800000000000, 0.0067683300000000 ] - [ 0.0022666000000000, 0.0002395300000000, 0.0010861300000000 ] - [ 0.0026889500000000, 0.0005496500000000, -0.0007179000000000 ] - [ 0.0005390700000000, 0.0001000200000000, -0.0022233100000000 ] - [ -0.1160320000000000, 0.1133677200000000, 0.0817951700000000 ] - [ -0.0025575400000000, 0.0005622100000000, 0.0000490400000000 ] - [ -0.0023893400000000, -0.0000918600000000, -0.0002105600000000 ] - [ -0.0109284300000000, -0.0105506600000000, -0.0065025000000000 ] - [ -0.0031960600000000, -0.0030501500000000, 0.0018817300000000 ] - [ -0.0023071500000000, -0.0002667900000000, 0.0009386500000000 ] - [ -0.0027327100000000, -0.0005779600000000, -0.0008683800000000 ] - [ 0.0020938600000000, 0.0000554000000000, 0.0028169300000000 ] - [ -0.0093737900000000, 0.0051154700000000, -0.0198910800000000 ] - [ -0.0029770400000000, 0.0006685700000000, 0.0001133100000000 ] - [ 0.0023232800000000, 0.0068180500000000, 0.0000810200000000 ] - [ -0.0035632900000000, -0.0011996000000000, 0.0015597100000000 ] - [ -0.0013243800000000, -0.0004605900000000, -0.0017428900000000 ] - [ -0.0065375500000000, -0.0069334700000000, 0.0049902000000000 ] - [ -0.0040960900000000, -0.0015657900000000, 0.0009184000000000 ] - [ -0.0043790000000000, 0.0043067100000000, 0.0201646400000000 ] - [ 0.0070812100000000, -0.0007669000000000, -0.0025870200000000 ] - [ 0.0073404400000000, 0.0059973300000000, 0.0001468700000000 ] - [ 0.0020156000000000, -0.0001464200000000, 0.0001150400000000 ] - [ 0.0036628200000000, 0.0003518400000000, 0.0015013500000000 ] - [ 0.0014292400000000, -0.0003854500000000, -0.0017924100000000 ] - [ 0.0009230800000000, -0.0007390200000000, -0.0011264000000000 ] - [ -0.0016191500000000, -0.0062162200000000, -0.0052536900000000 ] - [ -0.0016103800000000, -0.0009379400000000, -0.0001836700000000 ] - [ -0.0040878500000000, 0.0056661000000000, 0.0013189600000000 ] - [ -0.0055627500000000, 0.0055224300000000, 0.0016890700000000 ] - [ -0.0052664600000000, 0.0061092200000000, -0.0008241400000000 ] - [ -0.0045251200000000, -0.0063083000000000, -0.0000786400000000 ] - [ 0.0240575500000000, 0.0752013600000000, 0.0324462600000000 ] - [ -0.0041391500000000, -0.0060772800000000, -0.0000008000000000 ] - [ -0.0070918500000000, -0.0044261100000000, -0.0003978600000000 ] - [ 0.0348141400000000, 0.0887676800000000, -0.0349938900000000 ] - [ 0.0049885300000000, 0.0056117200000000, 0.0000876800000000 ] - [ 0.0024225000000000, 0.0074974800000000, 0.0004003500000000 ] - [ 0.0053748400000000, 0.0058406200000000, -0.0000002100000000 ] - [ 0.0054150000000000, -0.0062393000000000, -0.0013361400000000 ] - [ 0.0079312800000000, -0.0128379800000000, 0.0001452800000000 ] - [ 0.0042486300000000, -0.0058075600000000, 0.0008204000000000 ] - [ 0.0039470800000000, -0.0063977900000000, -0.0017032600000000 ] - [ 0.0197540200000000, 0.0101594400000000, 0.0077666700000000 ] - [ 0.0196927000000000, 0.0100897700000000, -0.0077340800000000 ] - [ 0.0009794800000000, 0.0004984600000000, -0.0001923600000000 ] - [ 0.0009784900000000, 0.0004977200000000, 0.0001926900000000 ] - [ 0.0094407200000000, -0.0186191400000000, 0.0000229600000000 ] - [ 0.0000764800000000, 0.0001375800000000, 0.0000048800000000 ] - [ -0.0010094500000000, 0.0003480000000000, -0.0000013000000000 ] - [ 0.0008688200000000, -0.0003738100000000, -0.0000016400000000 ] - [ 0.1796144800000000, -0.4190901000000000, 0.0012828700000000 ] - [ -0.0033874000000000, 0.0026225400000000, 0.0015961800000000 ] - [ -0.0000317300000000, 0.0001544500000000, 0.0015992800000000 ] - [ 0.0001139200000000, -0.0000822300000000, 0.0016002400000000 ] - [ 0.0036021200000000, 0.0094310800000000, 0.0082142500000000 ] - [ 0.0035141200000000, 0.0093743400000000, -0.0113346000000000 ] - [ 0.0000745900000000, -0.0002792400000000, -0.0033059700000000 ] - [ 0.0000777800000000, -0.0002800800000000, 0.0001195100000000 ] - [ 0.0213707000000000, -0.0165108100000000, -0.0015967600000000 ] - [ -0.0042927600000000, 0.0035636400000000, -0.0015975500000000 ] - [ -0.0339263500000000, -0.0619739100000000, -0.0014327300000000 ] - [ 0.0007808100000000, -0.0002850200000000, -0.0016027700000000 ] - [ -0.0015207900000000, 0.0023129500000000, -0.0022471700000000 ] - [ -0.0015132500000000, 0.0023282900000000, 0.0054699200000000 ] - [ 0.0036822800000000, 0.0023212800000000, -0.0006270800000000 ] - [ 0.0036978600000000, 0.0023197700000000, 0.0038309800000000 ] - [ -0.0233408000000000, 0.0123478600000000, -0.0346599300000000 ] - [ -0.0091029300000000, -0.0111568000000000, -0.0013099800000000 ] - [ 0.0017826100000000, -0.0006689500000000, -0.0008684100000000 ] - [ 0.0015365000000000, -0.0039133200000000, 0.0004830200000000 ] - [ 0.0010246300000000, 0.0032881600000000, 0.0017260400000000 ] - [ 0.0141426600000000, 0.0477449800000000, 0.0102605100000000 ] - [ -0.0000570500000000, 0.0030491700000000, -0.0015504900000000 ] - [ 0.0024835400000000, 0.0032278100000000, 0.0013357600000000 ] - [ -0.0113935900000000, -0.0049218000000000, 0.0013196500000000 ] - [ -0.0258273100000000, 0.0186011200000000, 0.0348523100000000 ] - [ -0.0007514900000000, 0.0023474000000000, -0.0004801200000000 ] - [ -0.0005221800000000, 0.0055954500000000, 0.0008459300000000 ] - [ 0.0119882100000000, 0.0414042600000000, -0.0106533400000000 ] - [ -0.0012653100000000, -0.0029777900000000, -0.0017760600000000 ] - [ 0.0001963200000000, -0.0030358000000000, -0.0013253100000000 ] - [ -0.0023429200000000, -0.0032131300000000, 0.0015617100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.1071906600000000, -0.0772811800000000, 0.1124591300000000 ] - [ 0.0057353600000000, -0.0005479700000000, 0.0044426100000000 ] - [ -0.0001709500000000, 0.0012054500000000, -0.0106232100000000 ] - [ 0.0001782300000000, 0.0002284100000000, -0.0037563600000000 ] - [ 0.0007532600000000, 0.0020034400000000, 0.0059877000000000 ] - [ -0.0088353300000000, -0.0086862900000000, 0.0209232400000000 ] - [ 0.0045621000000000, 0.0011613800000000, -0.0049657700000000 ] - [ 0.0049521300000000, 0.0019200800000000, -0.0061266900000000 ] - [ -0.0057353600000000, 0.0005479700000000, 0.0044426100000000 ] - [ -0.1071906600000000, 0.0772811800000000, 0.1124591300000000 ] - [ -0.0001782300000000, -0.0002284100000000, -0.0037563600000000 ] - [ 0.0001709500000000, -0.0012054500000000, -0.0106232100000000 ] - [ 0.0088353300000000, 0.0086862900000000, 0.0209232400000000 ] - [ -0.0007532600000000, -0.0020034400000000, 0.0059877000000000 ] - [ -0.0049521300000000, -0.0019200800000000, -0.0061266900000000 ] - [ -0.0045621000000000, -0.0011613800000000, -0.0049657700000000 ] - [ -0.0058300800000000, 0.0001116400000000, -0.0025258300000000 ] - [ -0.0030574100000000, 0.0008525000000000, -0.0151281300000000 ] - [ -0.0008205500000000, -0.0000456100000000, 0.0010400800000000 ] - [ -0.0134142400000000, 0.0064271900000000, -0.0206808200000000 ] - [ -0.0024518600000000, -0.0001136500000000, -0.0046608000000000 ] - [ 0.0002658200000000, 0.0000935300000000, -0.0043719300000000 ] - [ 0.0104333000000000, 0.0103577900000000, -0.0093623500000000 ] - [ -0.0078945900000000, -0.0028995100000000, 0.0041520100000000 ] - [ 0.0030574100000000, -0.0008525000000000, -0.0151281300000000 ] - [ 0.0058300800000000, -0.0001116400000000, -0.0025258300000000 ] - [ 0.0134142400000000, -0.0064271900000000, -0.0206808200000000 ] - [ 0.0008205500000000, 0.0000456100000000, 0.0010400800000000 ] - [ -0.0002658200000000, -0.0000935300000000, -0.0043719300000000 ] - [ 0.0024518600000000, 0.0001136500000000, -0.0046608000000000 ] - [ 0.0078945900000000, 0.0028995100000000, 0.0041520100000000 ] - [ -0.0104333000000000, -0.0103577900000000, -0.0093623500000000 ] - [ -0.0112869100000000, 0.0160731200000000, -0.0021106600000000 ] - [ -0.0030959300000000, 0.0051893700000000, 0.0028211800000000 ] - [ -0.0016043100000000, 0.0043210800000000, -0.0062523300000000 ] - [ -0.0065831700000000, 0.0062748800000000, -0.0033229200000000 ] - [ -0.0042747000000000, -0.0053907800000000, 0.0038724700000000 ] - [ 0.0101435000000000, 0.0232591200000000, 0.0986288700000000 ] - [ -0.0047736900000000, -0.0060657900000000, -0.0036657400000000 ] - [ -0.0041334500000000, -0.0050609100000000, -0.0087878500000000 ] - [ -0.0101435000000000, -0.0232591200000000, 0.0986288700000000 ] - [ 0.0042747000000000, 0.0053907800000000, 0.0038724700000000 ] - [ 0.0041334500000000, 0.0050609100000000, -0.0087878500000000 ] - [ 0.0047736900000000, 0.0060657900000000, -0.0036657400000000 ] - [ 0.0030959300000000, -0.0051893700000000, 0.0028211800000000 ] - [ 0.0112869100000000, -0.0160731200000000, -0.0021106600000000 ] - [ 0.0065831700000000, -0.0062748800000000, -0.0033229200000000 ] - [ 0.0016043100000000, -0.0043210800000000, -0.0062523300000000 ] - [ -0.0168943500000000, -0.0085833200000000, -0.0053018300000000 ] - [ 0.0168943500000000, 0.0085833200000000, -0.0053018300000000 ] - [ 0.0056754300000000, 0.0027400800000000, -0.0025940800000000 ] - [ -0.0056754300000000, -0.0027400800000000, -0.0025940800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023027200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021419700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017088100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5507894600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0067396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0174611000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0082475700000000 ] - [ -0.0006680100000000, -0.0097523800000000, -0.0166069300000000 ] - [ 0.0006680100000000, 0.0097523800000000, -0.0166069300000000 ] - [ -0.0005478000000000, 0.0017103300000000, 0.0078502400000000 ] - [ 0.0005478000000000, -0.0017103300000000, 0.0078502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0191821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045894600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1022933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062479600000000 ] - [ 0.0041885000000000, -0.0022268000000000, 0.0068266300000000 ] - [ -0.0041885000000000, 0.0022268000000000, 0.0068266300000000 ] - [ -0.0104630300000000, -0.0038539500000000, 0.0068514400000000 ] - [ 0.0104630300000000, 0.0038539500000000, 0.0068514400000000 ] - [ 0.0421212300000000, -0.0210126700000000, 0.0529011800000000 ] - [ -0.0106083500000000, -0.0110293300000000, -0.0026471100000000 ] - [ -0.0074629000000000, -0.0020119200000000, 0.0178307000000000 ] - [ 0.0067073000000000, -0.0018622800000000, 0.0026340300000000 ] - [ -0.0000659800000000, 0.0023786600000000, -0.0092352700000000 ] - [ 0.0331283100000000, 0.0482272700000000, -0.0172513900000000 ] - [ 0.0013450200000000, 0.0031780700000000, 0.0065671900000000 ] - [ -0.0005112100000000, 0.0016280200000000, 0.0086466000000000 ] - [ 0.0106083500000000, 0.0110293300000000, -0.0026471100000000 ] - [ -0.0421212300000000, 0.0210126700000000, 0.0529011800000000 ] - [ -0.0067073000000000, 0.0018622800000000, 0.0026340300000000 ] - [ 0.0074629000000000, 0.0020119200000000, 0.0178307000000000 ] - [ -0.0331283100000000, -0.0482272700000000, -0.0172513900000000 ] - [ 0.0000659800000000, -0.0023786600000000, -0.0092352700000000 ] - [ 0.0005112100000000, -0.0016280200000000, 0.0086466000000000 ] - [ -0.0013450200000000, -0.0031780700000000, 0.0065671900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0987004200000000, 0.0736841800000000, -0.1117715900000000 ] - [ -0.0007490300000000, -0.0002675100000000, -0.0046799000000000 ] - [ 0.0051674900000000, -0.0020245300000000, 0.0104306300000000 ] - [ 0.0048269000000000, -0.0010456900000000, 0.0035421200000000 ] - [ 0.0042535500000000, -0.0011897200000000, -0.0057793000000000 ] - [ 0.0138874300000000, 0.0095526000000000, -0.0207697400000000 ] - [ 0.0004230100000000, -0.0003483800000000, 0.0052080600000000 ] - [ 0.0000441800000000, -0.0011036200000000, 0.0063650900000000 ] - [ 0.0007490300000000, 0.0002675100000000, -0.0046799000000000 ] - [ 0.0987004200000000, -0.0736841800000000, -0.1117715900000000 ] - [ -0.0048269000000000, 0.0010456900000000, 0.0035421200000000 ] - [ -0.0051674900000000, 0.0020245300000000, 0.0104306300000000 ] - [ -0.0138874300000000, -0.0095526000000000, -0.0207697400000000 ] - [ -0.0042535500000000, 0.0011897200000000, -0.0057793000000000 ] - [ -0.0000441800000000, 0.0011036200000000, 0.0063650900000000 ] - [ -0.0004230100000000, 0.0003483800000000, 0.0052080600000000 ] - [ 0.0008507700000000, 0.0007057300000000, 0.0027684900000000 ] - [ -0.0019097300000000, -0.0000486300000000, 0.0153848200000000 ] - [ -0.0041846100000000, 0.0008627000000000, -0.0008250600000000 ] - [ 0.0084801700000000, -0.0056362700000000, 0.0210496900000000 ] - [ -0.0025604200000000, -0.0007156100000000, 0.0044619200000000 ] - [ -0.0052681900000000, -0.0009118700000000, 0.0041661900000000 ] - [ -0.0154149800000000, -0.0111545900000000, 0.0090980100000000 ] - [ 0.0029028400000000, 0.0020811600000000, -0.0043910500000000 ] - [ 0.0019097300000000, 0.0000486300000000, 0.0153848200000000 ] - [ -0.0008507700000000, -0.0007057300000000, 0.0027684900000000 ] - [ -0.0084801700000000, 0.0056362700000000, 0.0210496900000000 ] - [ 0.0041846100000000, -0.0008627000000000, -0.0008250600000000 ] - [ 0.0052681900000000, 0.0009118700000000, 0.0041661900000000 ] - [ 0.0025604200000000, 0.0007156100000000, 0.0044619200000000 ] - [ -0.0029028400000000, -0.0020811600000000, -0.0043910500000000 ] - [ 0.0154149800000000, 0.0111545900000000, 0.0090980100000000 ] - [ 0.0018034800000000, -0.0042069500000000, 0.0021840200000000 ] - [ -0.0064272100000000, 0.0067373200000000, -0.0028243500000000 ] - [ -0.0079280900000000, 0.0076175700000000, 0.0062619900000000 ] - [ -0.0029220500000000, 0.0056396400000000, 0.0033237500000000 ] - [ -0.0052388800000000, -0.0065264500000000, -0.0038862000000000 ] - [ -0.0219504000000000, -0.0387233400000000, -0.1025588600000000 ] - [ -0.0047407300000000, -0.0058515800000000, 0.0036808600000000 ] - [ -0.0053758000000000, -0.0068534700000000, 0.0088058100000000 ] - [ 0.0219504000000000, 0.0387233400000000, -0.1025588600000000 ] - [ 0.0052388800000000, 0.0065264500000000, -0.0038862000000000 ] - [ 0.0053758000000000, 0.0068534700000000, 0.0088058100000000 ] - [ 0.0047407300000000, 0.0058515800000000, 0.0036808600000000 ] - [ 0.0064272100000000, -0.0067373200000000, -0.0028243500000000 ] - [ -0.0018034800000000, 0.0042069500000000, 0.0021840200000000 ] - [ 0.0029220500000000, -0.0056396400000000, 0.0033237500000000 ] - [ 0.0079280900000000, -0.0076175700000000, 0.0062619900000000 ] - [ 0.0169719200000000, 0.0086391200000000, 0.0053429200000000 ] - [ -0.0169719200000000, -0.0086391200000000, 0.0053429200000000 ] - [ -0.0057092700000000, -0.0027578800000000, 0.0026036800000000 ] - [ 0.0057092700000000, 0.0027578800000000, 0.0026036800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046387800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023094500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021484400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.5611866000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099611800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0143076900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050742300000000 ] - [ 0.0006689800000000, 0.0097957500000000, 0.0134500800000000 ] - [ -0.0006689800000000, -0.0097957500000000, 0.0134500800000000 ] - [ 0.0005598200000000, -0.0017149800000000, -0.0110695500000000 ] - [ -0.0005598200000000, 0.0017149800000000, -0.0110695500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0223639700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078138800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1069160800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030756800000000 ] - [ -0.0041835200000000, 0.0022308100000000, -0.0036665600000000 ] - [ 0.0041835200000000, -0.0022308100000000, -0.0036665600000000 ] - [ 0.0104963400000000, 0.0038637200000000, -0.0036420300000000 ] - [ -0.0104963400000000, -0.0038637200000000, -0.0036420300000000 ] - [ -0.0395543600000000, 0.0145838700000000, -0.0529376900000000 ] - [ 0.0129198200000000, 0.0047879500000000, 0.0026511000000000 ] - [ 0.0098181500000000, -0.0042615000000000, -0.0179220100000000 ] - [ -0.0044548400000000, -0.0044097500000000, -0.0026333700000000 ] - [ 0.0023503700000000, 0.0038802800000000, 0.0092608200000000 ] - [ -0.0309656800000000, -0.0420740400000000, 0.0172479100000000 ] - [ 0.0009411100000000, 0.0030811900000000, -0.0065899300000000 ] - [ 0.0027823900000000, 0.0046203400000000, -0.0086722400000000 ] - [ -0.0129198200000000, -0.0047879500000000, 0.0026511000000000 ] - [ 0.0395543600000000, -0.0145838700000000, -0.0529376900000000 ] - [ 0.0044548400000000, 0.0044097500000000, -0.0026333700000000 ] - [ -0.0098181500000000, 0.0042615000000000, -0.0179220100000000 ] - [ 0.0309656800000000, 0.0420740400000000, 0.0172479100000000 ] - [ -0.0023503700000000, -0.0038802800000000, 0.0092608200000000 ] - [ -0.0027823900000000, -0.0046203400000000, -0.0086722400000000 ] - [ -0.0009411100000000, -0.0030811900000000, -0.0065899300000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1002066100000000, -0.0150686200000000, 0.1126841800000000 ] - [ -0.0062247300000000, 0.0033861900000000, -0.0028841900000000 ] - [ 0.0055180400000000, -0.0017723200000000, 0.0032117300000000 ] - [ -0.0001457500000000, 0.0005355100000000, -0.0026824600000000 ] - [ -0.0004945800000000, 0.0015747500000000, 0.0118492700000000 ] - [ -0.0020893100000000, -0.0020437200000000, -0.0001316700000000 ] - [ 0.0054908800000000, 0.0018327200000000, -0.0051178700000000 ] - [ -0.0003565100000000, -0.0016088000000000, 0.0030154200000000 ] - [ -0.0245052400000000, 0.0007796000000000, 0.0157806900000000 ] - [ -0.0148132300000000, 0.0080498100000000, 0.0006730200000000 ] - [ -0.0013804500000000, 0.0000696600000000, -0.0019329200000000 ] - [ -0.0047494000000000, 0.0013459100000000, 0.0030345000000000 ] - [ 0.0099744000000000, 0.0055284600000000, 0.0150810100000000 ] - [ -0.0083082500000000, -0.0023800700000000, -0.0026181800000000 ] - [ 0.0018839800000000, 0.0015925100000000, 0.0002889100000000 ] - [ -0.0061990800000000, -0.0018123200000000, -0.0019651000000000 ] - [ -0.0245052400000000, 0.0007796000000000, -0.0157806900000000 ] - [ -0.0148132300000000, 0.0080498100000000, -0.0006730200000000 ] - [ -0.0013804500000000, 0.0000696600000000, 0.0019329200000000 ] - [ -0.0047494000000000, 0.0013459100000000, -0.0030345000000000 ] - [ 0.0099744000000000, 0.0055284600000000, -0.0150810100000000 ] - [ -0.0083082500000000, -0.0023800700000000, 0.0026181800000000 ] - [ 0.0018839800000000, 0.0015925100000000, -0.0002889100000000 ] - [ -0.0061990800000000, -0.0018123200000000, 0.0019651000000000 ] - [ 0.1002066100000000, -0.0150686200000000, -0.1126841800000000 ] - [ -0.0062247300000000, 0.0033861900000000, 0.0028841900000000 ] - [ 0.0055180400000000, -0.0017723200000000, -0.0032117300000000 ] - [ -0.0001457500000000, 0.0005355100000000, 0.0026824600000000 ] - [ -0.0004945800000000, 0.0015747500000000, -0.0118492700000000 ] - [ -0.0020893100000000, -0.0020437200000000, 0.0001316700000000 ] - [ 0.0054908800000000, 0.0018327200000000, 0.0051178700000000 ] - [ -0.0003565100000000, -0.0016088000000000, -0.0030154200000000 ] - [ 0.0546746600000000, -0.0536129700000000, 0.0000000000000000 ] - [ -0.0097739700000000, 0.0089197100000000, 0.0000000000000000 ] - [ -0.0021140400000000, 0.0043484800000000, 0.0000000000000000 ] - [ -0.0068041400000000, 0.0068138200000000, 0.0000000000000000 ] - [ -0.0067595200000000, -0.0053219700000000, 0.0048490600000000 ] - [ -0.0090723100000000, -0.0070959800000000, -0.0065973000000000 ] - [ -0.0067595200000000, -0.0053219700000000, -0.0048490600000000 ] - [ -0.0090723100000000, -0.0070959800000000, 0.0065973000000000 ] - [ 0.0058523900000000, 0.0170689500000000, -0.0107865500000000 ] - [ 0.0011343800000000, 0.0048778700000000, 0.0040948300000000 ] - [ 0.0058523900000000, 0.0170689500000000, 0.0107865500000000 ] - [ 0.0011343800000000, 0.0048778700000000, -0.0040948300000000 ] - [ -0.0004739300000000, -0.0228562200000000, 0.0000000000000000 ] - [ -0.0006632300000000, -0.0019493900000000, 0.0000000000000000 ] - [ 0.0061969000000000, -0.0058483400000000, 0.0000000000000000 ] - [ 0.0027649700000000, -0.0052888600000000, 0.0000000000000000 ] - [ 0.1276929300000000, 0.0777435100000000, 0.0000000000000000 ] - [ -0.0129724100000000, -0.0066641800000000, 0.0000000000000000 ] - [ 0.0043662700000000, 0.0020897600000000, 0.0000000000000000 ] - [ -0.0047198500000000, -0.0022644000000000, 0.0000000000000000 ] - [ 0.0037319800000000, -0.0018394000000000, 0.0001593800000000 ] - [ -0.0052028400000000, 0.0023361800000000, 0.0013791000000000 ] - [ 0.0037319800000000, -0.0018394000000000, -0.0001593800000000 ] - [ -0.0052028400000000, 0.0023361800000000, -0.0013791000000000 ] - [ 0.0390213600000000, -0.0245060000000000, 0.0422810400000000 ] - [ 0.0158630100000000, -0.0102504300000000, -0.0101785300000000 ] - [ -0.0001549500000000, 0.0006376100000000, -0.0070491200000000 ] - [ 0.0013934400000000, 0.0003933600000000, 0.0071861300000000 ] - [ -0.0031760000000000, -0.0131221700000000, -0.0336478200000000 ] - [ 0.0093613900000000, 0.0001202500000000, -0.0003960300000000 ] - [ -0.0049026000000000, -0.0013430800000000, 0.0000481900000000 ] - [ 0.0047182900000000, 0.0012006700000000, -0.0017993400000000 ] - [ 0.0390213600000000, -0.0245060000000000, -0.0422810400000000 ] - [ 0.0158630100000000, -0.0102504300000000, 0.0101785300000000 ] - [ -0.0001549500000000, 0.0006376100000000, 0.0070491200000000 ] - [ 0.0013934400000000, 0.0003933600000000, -0.0071861300000000 ] - [ -0.0031760000000000, -0.0131221700000000, 0.0336478200000000 ] - [ 0.0093613900000000, 0.0001202500000000, 0.0003960300000000 ] - [ -0.0049026000000000, -0.0013430800000000, -0.0000481900000000 ] - [ 0.0047182900000000, 0.0012006700000000, 0.0017993400000000 ] - [ -0.4832842100000000, 0.0206441200000000, 0.0000000000000000 ] - [ 0.0182220300000000, -0.0019774300000000, 0.0000000000000000 ] - [ -0.0058904700000000, -0.0017928700000000, 0.0000000000000000 ] - [ 0.0068884700000000, -0.0031175700000000, 0.0000000000000000 ] - [ 0.0051706800000000, 0.0020756100000000, -0.0112427100000000 ] - [ 0.0051815500000000, 0.0096383000000000, 0.0044711700000000 ] - [ 0.0051706800000000, 0.0020756100000000, 0.0112427100000000 ] - [ 0.0051815500000000, 0.0096383000000000, -0.0044711700000000 ] - [ 0.0771134700000000, 0.0535524500000000, 0.0000000000000000 ] - [ 0.0180556300000000, 0.0006187900000000, 0.0000000000000000 ] - [ -0.0051861900000000, 0.0018963200000000, 0.0000000000000000 ] - [ 0.0041923700000000, 0.0030415300000000, 0.0000000000000000 ] - [ -0.0176319100000000, -0.0106367400000000, -0.0080312100000000 ] - [ 0.0075216300000000, -0.0013904100000000, 0.0001660900000000 ] - [ -0.0176319100000000, -0.0106367400000000, 0.0080312100000000 ] - [ 0.0075216300000000, -0.0013904100000000, -0.0001660900000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0956035300000000, 0.0145933100000000, -0.1164967900000000 ] - [ 0.0112219100000000, -0.0042104400000000, 0.0026626400000000 ] - [ -0.0005187500000000, 0.0009520400000000, -0.0034343200000000 ] - [ 0.0051394400000000, -0.0013525700000000, 0.0024519500000000 ] - [ 0.0055087100000000, -0.0007189600000000, -0.0116043200000000 ] - [ 0.0070824300000000, 0.0028622400000000, 0.0003794300000000 ] - [ -0.0004854400000000, -0.0010113600000000, 0.0053342300000000 ] - [ 0.0053461800000000, 0.0024220100000000, -0.0027894500000000 ] - [ 0.0195095000000000, 0.0000140000000000, -0.0160316800000000 ] - [ 0.0097794200000000, -0.0072304500000000, -0.0008725700000000 ] - [ -0.0036121600000000, 0.0007463900000000, 0.0017014900000000 ] - [ -0.0002559200000000, -0.0005273700000000, -0.0032558400000000 ] - [ -0.0149628200000000, -0.0063531600000000, -0.0148537200000000 ] - [ 0.0033121500000000, 0.0015626400000000, 0.0028507100000000 ] - [ -0.0068679100000000, -0.0024024900000000, -0.0000522500000000 ] - [ 0.0011978100000000, 0.0009928200000000, 0.0021859200000000 ] - [ 0.0195095000000000, 0.0000140000000000, 0.0160316800000000 ] - [ 0.0097794200000000, -0.0072304500000000, 0.0008725700000000 ] - [ -0.0036121600000000, 0.0007463900000000, -0.0017014900000000 ] - [ -0.0002559200000000, -0.0005273700000000, 0.0032558400000000 ] - [ -0.0149628200000000, -0.0063531600000000, 0.0148537200000000 ] - [ 0.0033121500000000, 0.0015626400000000, -0.0028507100000000 ] - [ -0.0068679100000000, -0.0024024900000000, 0.0000522500000000 ] - [ 0.0011978100000000, 0.0009928200000000, -0.0021859200000000 ] - [ -0.0956035300000000, 0.0145933100000000, 0.1164967900000000 ] - [ 0.0112219100000000, -0.0042104400000000, -0.0026626400000000 ] - [ -0.0005187500000000, 0.0009520400000000, 0.0034343200000000 ] - [ 0.0051394400000000, -0.0013525700000000, -0.0024519500000000 ] - [ 0.0055087100000000, -0.0007189600000000, 0.0116043200000000 ] - [ 0.0070824300000000, 0.0028622400000000, -0.0003794300000000 ] - [ -0.0004854400000000, -0.0010113600000000, -0.0053342300000000 ] - [ 0.0053461800000000, 0.0024220100000000, 0.0027894500000000 ] - [ -0.0643719800000000, 0.0645476100000000, 0.0000000000000000 ] - [ 0.0002608800000000, 0.0029987700000000, 0.0000000000000000 ] - [ -0.0073938500000000, 0.0075684300000000, 0.0000000000000000 ] - [ -0.0027102600000000, 0.0051032800000000, 0.0000000000000000 ] - [ -0.0027556900000000, -0.0065970200000000, -0.0048408000000000 ] - [ -0.0004953700000000, -0.0048412400000000, 0.0065805100000000 ] - [ -0.0027556900000000, -0.0065970200000000, 0.0048408000000000 ] - [ -0.0004953700000000, -0.0048412400000000, -0.0065805100000000 ] - [ 0.0036511600000000, -0.0050937700000000, 0.0107165000000000 ] - [ 0.0083774800000000, 0.0070385100000000, -0.0040948300000000 ] - [ 0.0036511600000000, -0.0050937700000000, -0.0107165000000000 ] - [ 0.0083774800000000, 0.0070385100000000, 0.0040948300000000 ] - [ 0.0100442900000000, 0.0109311400000000, 0.0000000000000000 ] - [ 0.0101833000000000, -0.0099734500000000, 0.0000000000000000 ] - [ 0.0033203500000000, -0.0060690800000000, 0.0000000000000000 ] - [ 0.0067438200000000, -0.0066261800000000, 0.0000000000000000 ] - [ -0.1195118900000000, -0.0705923700000000, 0.0000000000000000 ] - [ 0.0129722700000000, 0.0066589100000000, 0.0000000000000000 ] - [ -0.0043584300000000, -0.0020862400000000, 0.0000000000000000 ] - [ 0.0047103700000000, 0.0022597300000000, 0.0000000000000000 ] - [ -0.0037476800000000, 0.0018502900000000, -0.0001571500000000 ] - [ 0.0052016500000000, -0.0023359500000000, -0.0013751400000000 ] - [ -0.0037476800000000, 0.0018502900000000, 0.0001571500000000 ] - [ 0.0052016500000000, -0.0023359500000000, 0.0013751400000000 ] - [ -0.0389980800000000, 0.0246636800000000, -0.0393944400000000 ] - [ -0.0158329800000000, 0.0102468100000000, 0.0133486200000000 ] - [ 0.0001708400000000, -0.0006232800000000, 0.0102307100000000 ] - [ -0.0013941000000000, -0.0003908600000000, -0.0039760100000000 ] - [ 0.0030954300000000, 0.0130083000000000, 0.0304449000000000 ] - [ -0.0093651100000000, -0.0001215500000000, -0.0028117300000000 ] - [ 0.0048884100000000, 0.0013371400000000, -0.0032448400000000 ] - [ -0.0047114500000000, -0.0011995000000000, -0.0013950400000000 ] - [ -0.0389980800000000, 0.0246636800000000, 0.0393944400000000 ] - [ -0.0158329800000000, 0.0102468100000000, -0.0133486200000000 ] - [ 0.0001708400000000, -0.0006232800000000, -0.0102307100000000 ] - [ -0.0013941000000000, -0.0003908600000000, 0.0039760100000000 ] - [ 0.0030954300000000, 0.0130083000000000, -0.0304449000000000 ] - [ -0.0093651100000000, -0.0001215500000000, 0.0028117300000000 ] - [ 0.0048884100000000, 0.0013371400000000, 0.0032448400000000 ] - [ -0.0047114500000000, -0.0011995000000000, 0.0013950400000000 ] - [ 0.4782803400000000, -0.0343428700000000, 0.0000000000000000 ] - [ -0.0159395200000000, -0.0042864900000000, 0.0000000000000000 ] - [ 0.0081614700000000, -0.0044653400000000, 0.0000000000000000 ] - [ -0.0045983700000000, -0.0031380600000000, 0.0000000000000000 ] - [ -0.0028825300000000, 0.0041849900000000, 0.0112066600000000 ] - [ -0.0028711400000000, -0.0033664500000000, -0.0044905500000000 ] - [ -0.0028825300000000, 0.0041849900000000, -0.0112066600000000 ] - [ -0.0028711400000000, -0.0033664500000000, 0.0044905500000000 ] - [ -0.0791515500000000, -0.0468939400000000, 0.0000000000000000 ] - [ -0.0203790000000000, 0.0056724600000000, 0.0000000000000000 ] - [ 0.0028941200000000, 0.0043613200000000, 0.0000000000000000 ] - [ -0.0064647400000000, 0.0032141100000000, 0.0000000000000000 ] - [ 0.0153329700000000, 0.0043487500000000, 0.0080229400000000 ] - [ -0.0098006400000000, -0.0048683900000000, -0.0001761500000000 ] - [ 0.0153329700000000, 0.0043487500000000, -0.0080229400000000 ] - [ -0.0098006400000000, -0.0048683900000000, 0.0001761500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0111907700000000, 0.0358362600000000, -0.0231349000000000 ] - [ 0.0011804200000000, 0.0014692700000000, 0.0001386300000000 ] - [ 0.0016164100000000, -0.0000989000000000, -0.0008269100000000 ] - [ 0.0026926600000000, -0.0001923300000000, -0.0004467200000000 ] - [ 0.0133477400000000, 0.0030868300000000, -0.0144767700000000 ] - [ 0.0018176500000000, 0.0007619300000000, 0.0003718500000000 ] - [ 0.0028371900000000, 0.0008752700000000, 0.0025216900000000 ] - [ 0.0023502100000000, 0.0009742600000000, -0.0001200600000000 ] - [ -0.0162373100000000, -0.0045913900000000, 0.0093411100000000 ] - [ -0.0018276000000000, -0.0006978300000000, 0.0007603400000000 ] - [ -0.0016973200000000, 0.0000070800000000, -0.0007793000000000 ] - [ -0.0029131800000000, -0.0000378700000000, -0.0003511200000000 ] - [ -0.0074220600000000, -0.0122489900000000, -0.0136725000000000 ] - [ -0.0021533200000000, -0.0007928400000000, 0.0008428200000000 ] - [ -0.0027672600000000, -0.0001047900000000, 0.0023556100000000 ] - [ -0.0020313400000000, -0.0007948700000000, 0.0000109800000000 ] - [ -0.0162373100000000, -0.0045913900000000, -0.0093411100000000 ] - [ -0.0018276000000000, -0.0006978300000000, -0.0007603400000000 ] - [ -0.0016973200000000, 0.0000070800000000, 0.0007793000000000 ] - [ -0.0029131800000000, -0.0000378700000000, 0.0003511200000000 ] - [ -0.0074220600000000, -0.0122489900000000, 0.0136725000000000 ] - [ -0.0021533200000000, -0.0007928400000000, -0.0008428200000000 ] - [ -0.0027672600000000, -0.0001047900000000, -0.0023556100000000 ] - [ -0.0020313400000000, -0.0007948700000000, -0.0000109800000000 ] - [ -0.0111907700000000, 0.0358362600000000, 0.0231349000000000 ] - [ 0.0011804200000000, 0.0014692700000000, -0.0001386300000000 ] - [ 0.0016164100000000, -0.0000989000000000, 0.0008269100000000 ] - [ 0.0026926600000000, -0.0001923300000000, 0.0004467200000000 ] - [ 0.0133477400000000, 0.0030868300000000, 0.0144767700000000 ] - [ 0.0018176500000000, 0.0007619300000000, -0.0003718500000000 ] - [ 0.0028371900000000, 0.0008752700000000, -0.0025216900000000 ] - [ 0.0023502100000000, 0.0009742600000000, 0.0001200600000000 ] - [ -0.0521487600000000, 0.1555106200000000, 0.0000000000000000 ] - [ -0.0051645300000000, 0.0064990300000000, 0.0000000000000000 ] - [ -0.0053733700000000, 0.0068555000000000, 0.0000000000000000 ] - [ -0.0047827400000000, 0.0059450100000000, 0.0000000000000000 ] - [ -0.0033893200000000, -0.0030916200000000, 0.0007805800000000 ] - [ -0.0021871400000000, -0.0071274600000000, 0.0051842900000000 ] - [ -0.0033893200000000, -0.0030916200000000, -0.0007805800000000 ] - [ -0.0021871400000000, -0.0071274600000000, -0.0051842900000000 ] - [ 0.0018807400000000, 0.0042318800000000, -0.0023174800000000 ] - [ 0.0041565100000000, 0.0063824000000000, 0.0028637600000000 ] - [ 0.0018807400000000, 0.0042318800000000, 0.0023174800000000 ] - [ 0.0041565100000000, 0.0063824000000000, -0.0028637600000000 ] - [ 0.0181620500000000, -0.0418549600000000, 0.0000000000000000 ] - [ 0.0048816300000000, -0.0065924100000000, 0.0000000000000000 ] - [ 0.0052376400000000, -0.0067350500000000, 0.0000000000000000 ] - [ 0.0048474600000000, -0.0059011900000000, 0.0000000000000000 ] - [ 0.0700377100000000, 0.0740698800000000, 0.0000000000000000 ] - [ 0.0000489100000000, 0.0000149000000000, 0.0000000000000000 ] - [ -0.0000436300000000, 0.0000053500000000, 0.0000000000000000 ] - [ -0.0001038400000000, -0.0000515400000000, 0.0000000000000000 ] - [ -0.0031084300000000, 0.0020123800000000, -0.0006693800000000 ] - [ 0.0045189000000000, -0.0023465100000000, -0.0009048300000000 ] - [ -0.0031084300000000, 0.0020123800000000, 0.0006693800000000 ] - [ 0.0045189000000000, -0.0023465100000000, 0.0009048300000000 ] - [ -0.0143034800000000, 0.0154404600000000, -0.0161746200000000 ] - [ 0.0055203900000000, -0.0080185100000000, -0.0062903700000000 ] - [ 0.0021029500000000, 0.0024571600000000, 0.0027133300000000 ] - [ -0.0013384300000000, -0.0007802700000000, 0.0028673100000000 ] - [ -0.0250869600000000, 0.0443478800000000, 0.0434458100000000 ] - [ 0.0005510700000000, 0.0001527400000000, -0.0023428900000000 ] - [ 0.0000478800000000, 0.0000997400000000, -0.0030859200000000 ] - [ -0.0001044100000000, -0.0000819400000000, -0.0015498900000000 ] - [ -0.0143034800000000, 0.0154404600000000, 0.0161746200000000 ] - [ 0.0055203900000000, -0.0080185100000000, 0.0062903700000000 ] - [ 0.0021029500000000, 0.0024571600000000, -0.0027133300000000 ] - [ -0.0013384300000000, -0.0007802700000000, -0.0028673100000000 ] - [ -0.0250869600000000, 0.0443478800000000, -0.0434458100000000 ] - [ 0.0005510700000000, 0.0001527400000000, 0.0023428900000000 ] - [ 0.0000478800000000, 0.0000997400000000, 0.0030859200000000 ] - [ -0.0001044100000000, -0.0000819400000000, 0.0015498900000000 ] - [ 0.0222613800000000, -0.4019066700000000, 0.0000000000000000 ] - [ 0.0023018400000000, -0.0042012100000000, 0.0000000000000000 ] - [ 0.0024691800000000, -0.0045457100000000, 0.0000000000000000 ] - [ 0.0011536900000000, -0.0030966000000000, 0.0000000000000000 ] - [ -0.0053328400000000, -0.0005824400000000, 0.0062238400000000 ] - [ 0.0021859200000000, -0.0005823700000000, -0.0004211100000000 ] - [ -0.0053328400000000, -0.0005824400000000, -0.0062238400000000 ] - [ 0.0021859200000000, -0.0005823700000000, 0.0004211100000000 ] - [ 0.0491938500000000, 0.0679095800000000, 0.0000000000000000 ] - [ -0.0036556000000000, 0.0045085500000000, 0.0000000000000000 ] - [ -0.0023692000000000, 0.0043522900000000, 0.0000000000000000 ] - [ -0.0012274200000000, 0.0030044400000000, 0.0000000000000000 ] - [ 0.0062904900000000, -0.0027801100000000, 0.0071160900000000 ] - [ -0.0028691000000000, -0.0000793900000000, -0.0011590500000000 ] - [ 0.0062904900000000, -0.0027801100000000, -0.0071160900000000 ] - [ -0.0028691000000000, -0.0000793900000000, 0.0011590500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0172344600000000, -0.0373144500000000, 0.0244715000000000 ] - [ 0.0038141100000000, -0.0022941000000000, -0.0003670000000000 ] - [ 0.0033883000000000, -0.0007204300000000, 0.0006129800000000 ] - [ 0.0022985600000000, -0.0006233400000000, 0.0002247900000000 ] - [ -0.0084643600000000, -0.0023067400000000, 0.0148423800000000 ] - [ 0.0031824100000000, 0.0000476300000000, -0.0001562100000000 ] - [ 0.0021518200000000, -0.0000657000000000, -0.0023099100000000 ] - [ 0.0026459500000000, -0.0001658000000000, 0.0003478300000000 ] - [ 0.0113232700000000, 0.0054263600000000, -0.0096551700000000 ] - [ -0.0032304200000000, 0.0015882100000000, -0.0009859900000000 ] - [ -0.0033044700000000, 0.0008118200000000, 0.0005603300000000 ] - [ -0.0020810700000000, 0.0008555400000000, 0.0001309300000000 ] - [ 0.0024615900000000, 0.0114782000000000, 0.0140477200000000 ] - [ -0.0028499700000000, -0.0000205100000000, -0.0006291500000000 ] - [ -0.0022217400000000, -0.0007082100000000, -0.0021620700000000 ] - [ -0.0029683500000000, -0.0000175100000000, 0.0002145200000000 ] - [ 0.0113232700000000, 0.0054263600000000, 0.0096551700000000 ] - [ -0.0032304200000000, 0.0015882100000000, 0.0009859900000000 ] - [ -0.0033044700000000, 0.0008118200000000, -0.0005603300000000 ] - [ -0.0020810700000000, 0.0008555400000000, -0.0001309300000000 ] - [ 0.0024615900000000, 0.0114782000000000, -0.0140477200000000 ] - [ -0.0028499700000000, -0.0000205100000000, 0.0006291500000000 ] - [ -0.0022217400000000, -0.0007082100000000, 0.0021620700000000 ] - [ -0.0029683500000000, -0.0000175100000000, -0.0002145200000000 ] - [ 0.0172344600000000, -0.0373144500000000, -0.0244715000000000 ] - [ 0.0038141100000000, -0.0022941000000000, 0.0003670000000000 ] - [ 0.0033883000000000, -0.0007204300000000, -0.0006129800000000 ] - [ 0.0022985600000000, -0.0006233400000000, -0.0002247900000000 ] - [ -0.0084643600000000, -0.0023067400000000, -0.0148423800000000 ] - [ 0.0031824100000000, 0.0000476300000000, 0.0001562100000000 ] - [ 0.0021518200000000, -0.0000657000000000, 0.0023099100000000 ] - [ 0.0026459500000000, -0.0001658000000000, -0.0003478300000000 ] - [ 0.0476813600000000, -0.1541487700000000, 0.0000000000000000 ] - [ -0.0043496100000000, 0.0054162200000000, 0.0000000000000000 ] - [ -0.0041341700000000, 0.0050499400000000, 0.0000000000000000 ] - [ -0.0047298600000000, 0.0059717400000000, 0.0000000000000000 ] - [ -0.0061351600000000, -0.0088456500000000, -0.0007861700000000 ] - [ -0.0073490000000000, -0.0047975700000000, -0.0052352300000000 ] - [ -0.0061351600000000, -0.0088456500000000, 0.0007861700000000 ] - [ -0.0073490000000000, -0.0047975700000000, 0.0052352300000000 ] - [ 0.0076508000000000, 0.0077544900000000, 0.0022913200000000 ] - [ 0.0053574400000000, 0.0055300700000000, -0.0028864400000000 ] - [ 0.0076508000000000, 0.0077544900000000, -0.0022913200000000 ] - [ 0.0053574400000000, 0.0055300700000000, 0.0028864400000000 ] - [ -0.0086246400000000, 0.0298625700000000, 0.0000000000000000 ] - [ 0.0046238600000000, -0.0053084100000000, 0.0000000000000000 ] - [ 0.0042687700000000, -0.0051760300000000, 0.0000000000000000 ] - [ 0.0046642000000000, -0.0060155700000000, 0.0000000000000000 ] - [ -0.0648651000000000, -0.0710388200000000, 0.0000000000000000 ] - [ -0.0000651600000000, -0.0000239700000000, 0.0000000000000000 ] - [ 0.0000466100000000, -0.0000039800000000, 0.0000000000000000 ] - [ 0.0001021000000000, 0.0000507000000000, 0.0000000000000000 ] - [ 0.0031499300000000, -0.0020312700000000, 0.0006802300000000 ] - [ -0.0045584900000000, 0.0023662000000000, 0.0009125300000000 ] - [ 0.0031499300000000, -0.0020312700000000, -0.0006802300000000 ] - [ -0.0045584900000000, 0.0023662000000000, -0.0009125300000000 ] - [ 0.0142328500000000, -0.0155118200000000, 0.0194219600000000 ] - [ -0.0055344500000000, 0.0080597100000000, 0.0095260900000000 ] - [ -0.0021098900000000, -0.0024699800000000, 0.0004638600000000 ] - [ 0.0013512700000000, 0.0007858300000000, 0.0003203500000000 ] - [ 0.0254631400000000, -0.0448013900000000, -0.0468580800000000 ] - [ -0.0005474400000000, -0.0001577000000000, -0.0008415600000000 ] - [ -0.0000395000000000, -0.0000921700000000, -0.0000932500000000 ] - [ 0.0001063600000000, 0.0000821300000000, -0.0016468900000000 ] - [ 0.0142328500000000, -0.0155118200000000, -0.0194219600000000 ] - [ -0.0055344500000000, 0.0080597100000000, -0.0095260900000000 ] - [ -0.0021098900000000, -0.0024699800000000, -0.0004638600000000 ] - [ 0.0013512700000000, 0.0007858300000000, -0.0003203500000000 ] - [ 0.0254631400000000, -0.0448013900000000, 0.0468580800000000 ] - [ -0.0005474400000000, -0.0001577000000000, 0.0008415600000000 ] - [ -0.0000395000000000, -0.0000921700000000, 0.0000932500000000 ] - [ 0.0001063600000000, 0.0000821300000000, 0.0016468900000000 ] - [ -0.0328876500000000, 0.4054585400000000, 0.0000000000000000 ] - [ -0.0000064100000000, -0.0020454800000000, 0.0000000000000000 ] - [ -0.0002034300000000, -0.0016987200000000, 0.0000000000000000 ] - [ 0.0011336600000000, -0.0031612200000000, 0.0000000000000000 ] - [ 0.0076725100000000, 0.0068804200000000, -0.0062897700000000 ] - [ 0.0000772100000000, 0.0068808300000000, 0.0004309200000000 ] - [ 0.0076725100000000, 0.0068804200000000, 0.0062897700000000 ] - [ 0.0000772100000000, 0.0068808300000000, -0.0004309200000000 ] - [ -0.0512525000000000, -0.0618318700000000, 0.0000000000000000 ] - [ 0.0013980500000000, 0.0017287500000000, 0.0000000000000000 ] - [ 0.0000952600000000, 0.0018932800000000, 0.0000000000000000 ] - [ -0.0010551300000000, 0.0032532600000000, 0.0000000000000000 ] - [ -0.0086964000000000, -0.0035171400000000, -0.0072487300000000 ] - [ 0.0006086600000000, -0.0062020400000000, 0.0011726500000000 ] - [ -0.0086964000000000, -0.0035171400000000, 0.0072487300000000 ] - [ 0.0006086600000000, -0.0062020400000000, -0.0011726500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.1167526900000000, -0.0275146200000000, 0.2515040800000000 ] - [ 0.0034992000000000, -0.0004356200000000, 0.0021248100000000 ] - [ -0.0011682900000000, 0.0015900000000000, -0.0102097400000000 ] - [ 0.0016909100000000, -0.0001981400000000, -0.0021672200000000 ] - [ 0.0055457000000000, -0.0021121500000000, 0.0011876500000000 ] - [ -0.0040159500000000, -0.0032198500000000, 0.0037799200000000 ] - [ 0.0017599800000000, 0.0004783300000000, -0.0023790800000000 ] - [ 0.0068845000000000, 0.0029040800000000, -0.0051262400000000 ] - [ -0.0055187500000000, 0.0002984800000000, 0.0044198400000000 ] - [ -0.0330015300000000, 0.0212125500000000, 0.0191068700000000 ] - [ -0.0020377500000000, 0.0001166000000000, -0.0023872100000000 ] - [ 0.0023489200000000, -0.0020347000000000, -0.0104348300000000 ] - [ 0.0036604200000000, 0.0036850100000000, 0.0055615900000000 ] - [ -0.0039110700000000, -0.0008371100000000, 0.0012875000000000 ] - [ -0.0072991600000000, -0.0030886900000000, -0.0060245100000000 ] - [ -0.0021250000000000, -0.0001029400000000, -0.0013310600000000 ] - [ 0.0006181000000000, 0.0005159700000000, 0.0047456300000000 ] - [ 0.0280796600000000, -0.0204023200000000, 0.0193045100000000 ] - [ -0.0029656100000000, 0.0007036400000000, -0.0021657700000000 ] - [ -0.0073391700000000, 0.0028570500000000, -0.0101970900000000 ] - [ -0.0087083800000000, -0.0045478700000000, 0.0054252700000000 ] - [ -0.0010694100000000, 0.0000224900000000, 0.0010529800000000 ] - [ 0.0022893700000000, 0.0022637900000000, -0.0062546400000000 ] - [ -0.0028620400000000, -0.0007108800000000, -0.0015652100000000 ] - [ -0.1207381000000000, 0.0284624100000000, 0.2659554400000000 ] - [ 0.0015305200000000, -0.0003959200000000, 0.0023440600000000 ] - [ 0.0061658500000000, -0.0024079300000000, -0.0099702000000000 ] - [ 0.0033128300000000, -0.0006225400000000, -0.0019474700000000 ] - [ -0.0005307800000000, 0.0029715100000000, 0.0010341300000000 ] - [ 0.0090272500000000, 0.0040439800000000, 0.0035545300000000 ] - [ 0.0032260000000000, 0.0003384900000000, -0.0026239900000000 ] - [ -0.0018788600000000, -0.0020826400000000, -0.0053458200000000 ] - [ -0.0050330900000000, 0.0064858900000000, 0.0586140400000000 ] - [ -0.0047483200000000, 0.0059537400000000, 0.0036545400000000 ] - [ -0.0047610900000000, 0.0059622600000000, -0.0054036800000000 ] - [ -0.0047532000000000, 0.0059579600000000, -0.0030928800000000 ] - [ -0.0034201400000000, -0.0047615700000000, -0.0004770000000000 ] - [ -0.0109382300000000, -0.0058052900000000, -0.0122390500000000 ] - [ -0.0060918800000000, -0.0071630300000000, -0.0004587300000000 ] - [ 0.0014315200000000, -0.0061078400000000, -0.0121794800000000 ] - [ 0.0019258400000000, 0.0154939600000000, -0.0157696000000000 ] - [ 0.0046219100000000, 0.0057707400000000, 0.0001754500000000 ] - [ 0.0076101800000000, -0.0035989800000000, -0.0157681100000000 ] - [ 0.0049041500000000, 0.0061490300000000, 0.0001956500000000 ] - [ 0.0048014100000000, -0.0059623600000000, 0.0036789600000000 ] - [ 0.0047686700000000, -0.0059726600000000, 0.0117287100000000 ] - [ 0.0047542000000000, -0.0059587500000000, -0.0040104500000000 ] - [ 0.0047586800000000, -0.0059600300000000, -0.0046388800000000 ] - [ -0.0005685400000000, -0.0004264000000000, 0.0234018700000000 ] - [ 0.0000227300000000, 0.0000120000000000, 0.0061970200000000 ] - [ -0.0000058400000000, -0.0000028000000000, -0.0021971000000000 ] - [ 0.0000055300000000, 0.0000027700000000, -0.0021315000000000 ] - [ -0.0018108800000000, 0.0003647600000000, -0.0013800900000000 ] - [ 0.0014358200000000, -0.0007096200000000, -0.0006321200000000 ] - [ 0.0018025900000000, -0.0003622200000000, -0.0013790800000000 ] - [ -0.0014255700000000, 0.0007054900000000, -0.0006293500000000 ] - [ 0.0511259500000000, -0.0346525000000000, 0.0542274500000000 ] - [ -0.0010537700000000, -0.0012920400000000, -0.0010238300000000 ] - [ -0.0017407300000000, -0.0008659700000000, 0.0194938600000000 ] - [ 0.0007073200000000, 0.0004818700000000, 0.0042226800000000 ] - [ -0.0091375500000000, 0.0104457300000000, -0.0187022500000000 ] - [ 0.0053791700000000, 0.0017553000000000, -0.0108497100000000 ] - [ 0.0027671800000000, 0.0013316500000000, 0.0070595100000000 ] - [ -0.0028763500000000, -0.0015580800000000, 0.0049806200000000 ] - [ -0.0517685100000000, 0.0348606300000000, 0.0516084000000000 ] - [ 0.0009947800000000, 0.0013377800000000, -0.0042744100000000 ] - [ 0.0017183700000000, 0.0008481600000000, 0.0162570100000000 ] - [ -0.0007060700000000, -0.0004810600000000, 0.0010446400000000 ] - [ 0.0091577000000000, -0.0104669900000000, -0.0157981500000000 ] - [ -0.0054093200000000, -0.0017468500000000, -0.0076461300000000 ] - [ -0.0027507300000000, -0.0013290400000000, 0.0102584500000000 ] - [ 0.0028614500000000, 0.0015540400000000, 0.0081760000000000 ] - [ 0.0115156700000000, -0.0051602100000000, -0.6596481500000000 ] - [ 0.0011078700000000, -0.0031360100000000, -0.0035638500000000 ] - [ 0.0011528200000000, -0.0031315100000000, 0.0137301400000000 ] - [ 0.0011326100000000, -0.0031295400000000, 0.0032981900000000 ] - [ -0.0033360800000000, 0.0027045900000000, 0.0046073000000000 ] - [ 0.0123562100000000, 0.0093827100000000, 0.0045954800000000 ] - [ 0.0056257400000000, 0.0035564800000000, 0.0045937200000000 ] - [ -0.0100928000000000, -0.0031304200000000, 0.0046052900000000 ] - [ -0.0012333400000000, 0.0030885200000000, -0.0005602400000000 ] - [ -0.0011971100000000, 0.0031457300000000, -0.0558506300000000 ] - [ -0.0011331600000000, 0.0031310700000000, 0.0039724000000000 ] - [ -0.0011487400000000, 0.0031318800000000, 0.0131741000000000 ] - [ -0.0091369500000000, -0.0102943100000000, 0.0042078800000000 ] - [ -0.0009824800000000, -0.0019688400000000, 0.0010538100000000 ] - [ 0.0069173600000000, 0.0040701300000000, 0.0041791700000000 ] - [ -0.0013250400000000, -0.0043004000000000, 0.0010533900000000 ]